4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

C72H87Cl2N9O12 — CID 162049130

IUPAC4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESC1CCOC1.CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1.CCN(CC)CC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(=O)N(C)C.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)N(C)C
InChIInChI=1S/C29H30ClN3O5.C19H18ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-29(2,3)27-13-18(32-38-27)12-19(34)11-17-7-8-20(14-23(17)30)37-25-9-10-31-24-16-26(36-6)22(15-21(24)25)28(35)33(4)5;1-23(2)19(24)13-9-12-16(10-18(13)25-3)22-7-6-17(12)26-11-4-5-15(21)14(20)8-11;1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10;1-4-7(5-2)6-3;1-2-4-5-3-1/h7-10,13-16H,11-12H2,1-6H3;4-10H,21H2,1-3H3;4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2
InChIKeyYYHVNIPKXFWNOY-UHFFFAOYSA-N
MW1341.44 g/mol
LogP15.73
Rot. Bonds17

About 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 162049130) has the molecular formula C72H87Cl2N9O12 and a molecular weight of 1341.44 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID162049130
Molecular FormulaC72H87Cl2N9O12
Molecular Weight1341.44 g/mol
Exact Mass1339.59
IUPAC Name4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESC1CCOC1.CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1.CCN(CC)CC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(=O)N(C)C.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)N(C)C
InChIInChI=1S/C29H30ClN3O5.C19H18ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-29(2,3)27-13-18(32-38-27)12-19(34)11-17-7-8-20(14-23(17)30)37-25-9-10-31-24-16-26(36-6)22(15-21(24)25)28(35)33(4)5;1-23(2)19(24)13-9-12-16(10-18(13)25-3)22-7-6-17(12)26-11-4-5-15(21)14(20)8-11;1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10;1-4-7(5-2)6-3;1-2-4-5-3-1/h7-10,13-16H,11-12H2,1-6H3;4-10H,21H2,1-3H3;4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2
InChIKeyYYHVNIPKXFWNOY-UHFFFAOYSA-N
XLogP15.73
TPSA249.27 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.44
LogP ≤ 515.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[(3-Tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 142410543
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 142410664
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-N,N-diethyl-7-methoxyquinoline-6-carboxamide
CID 142410678
4-[4-[(5-Tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 142410684
4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 142410690
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 142410712
4-[4-[[(5-Tert-butyl-1,2-oxazol-3-yl)-methylcarbamoyl]amino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 142410719
4-[4-[(5-Tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid
CID 151390906
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155196283
4-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1,2-oxazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1,2-oxazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-(4-methylpiperazin-1-yl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 157343747
4-[4-[2-[(5-Tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 157343750
4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 157343751

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 162049130) is 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is C1CCOC1.CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1.CCN(CC)CC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(=O)N(C)C.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)N(C)C.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is YYHVNIPKXFWNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O5.C19H18ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-29(2,3)27-13-18(32-38-27)12-19(34)11-17-7-8-20(14-23(17)30)37-25-9-10-31-24-16-26(36-6)22(15-21(24)25)28(35)33(4)5;1-23(2)19(24)13-9-12-16(10-18(13)25-3)22-7-6-17(12)26-11-4-5-15(21)14(20)8-11;1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10;1-4-7(5-2)6-3;1-2-4-5-3-1/h7-10,13-16H,11-12H2,1-6H3;4-10H,21H2,1-3H3;4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2.
What are the key properties of 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 1341.44 g/mol, XLogP of 15.73, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxy-N,N-dimethylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 162049130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).