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

C70H83Cl2N9O12 — CID 158461041

IUPACN-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;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)c2cc1NC(C)=O.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C28H28ClN3O5.C18H16ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-16(33)31-24-14-21-23(15-26(24)35-5)30-9-8-25(21)36-20-7-6-17(22(29)13-20)10-19(34)11-18-12-27(37-32-18)28(2,3)4;1-10(23)22-16-8-12-15(9-18(16)24-2)21-6-5-17(12)25-11-3-4-14(20)13(19)7-11;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/h6-9,12-15H,10-11H2,1-5H3,(H,31,33);3-9H,20H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2
InChIKeyHFEDSXZDDXGLGW-UHFFFAOYSA-N
MW1313.39 g/mol
LogP16.24
Rot. Bonds17

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

N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 158461041) has the molecular formula C70H83Cl2N9O12 and a molecular weight of 1313.39 g/mol. Its IUPAC name is N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound NameN-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID158461041
Molecular FormulaC70H83Cl2N9O12
Molecular Weight1313.39 g/mol
Exact Mass1311.55
IUPAC NameN-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;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)c2cc1NC(C)=O.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C28H28ClN3O5.C18H16ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-16(33)31-24-14-21-23(15-26(24)35-5)30-9-8-25(21)36-20-7-6-17(22(29)13-20)10-19(34)11-18-12-27(37-32-18)28(2,3)4;1-10(23)22-16-8-12-15(9-18(16)24-2)21-6-5-17(12)25-11-3-4-14(20)13(19)7-11;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/h6-9,12-15H,10-11H2,1-5H3,(H,31,33);3-9H,20H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2
InChIKeyHFEDSXZDDXGLGW-UHFFFAOYSA-N
XLogP16.24
TPSA266.85 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.39
LogP ≤ 516.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 158461041) is N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;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)c2cc1NC(C)=O.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is HFEDSXZDDXGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O5.C18H16ClN3O3.C14H16N2O3.C6H15N.C4H8O/c1-16(33)31-24-14-21-23(15-26(24)35-5)30-9-8-25(21)36-20-7-6-17(22(29)13-20)10-19(34)11-18-12-27(37-32-18)28(2,3)4;1-10(23)22-16-8-12-15(9-18(16)24-2)21-6-5-17(12)25-11-3-4-14(20)13(19)7-11;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/h6-9,12-15H,10-11H2,1-5H3,(H,31,33);3-9H,20H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,15,16,17);4-6H2,1-3H3;1-4H2.
What are the key properties of N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 1313.39 g/mol, XLogP of 16.24, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-chlorophenoxy)-7-methoxyquinolin-6-yl]acetamide;N-[4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinolin-6-yl]acetamide;N,N-diethylethanamine;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 158461041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).