tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate

C26H31ClN2O4 — CID 175288363

IUPACtert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c(Cl)c(C)c23)cc1
InChIInChI=1S/C26H31ClN2O4/c1-8-13-29(25(31)33-26(4,5)6)18-11-9-17(10-12-18)21-19(32-7)14-15(2)23-20(21)16(3)22(27)24(30)28-23/h9-12,14H,8,13H2,1-7H3,(H,28,30)
InChIKeyNNMUAZCXSKSQQJ-UHFFFAOYSA-N
MW471.00 g/mol
LogP6.63
Rot. Bonds5

About tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate

tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate (PubChem CID 175288363) has the molecular formula C26H31ClN2O4 and a molecular weight of 471.00 g/mol. Its IUPAC name is tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate
PubChem CID175288363
Molecular FormulaC26H31ClN2O4
Molecular Weight471.00 g/mol
Exact Mass470.20
IUPAC Nametert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c(Cl)c(C)c23)cc1
InChIInChI=1S/C26H31ClN2O4/c1-8-13-29(25(31)33-26(4,5)6)18-11-9-17(10-12-18)21-19(32-7)14-15(2)23-20(21)16(3)22(27)24(30)28-23/h9-12,14H,8,13H2,1-7H3,(H,28,30)
InChIKeyNNMUAZCXSKSQQJ-UHFFFAOYSA-N
XLogP6.63
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate with MolForge

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Related Compounds

tert-butyl N-fluoro-N-[2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethyl]carbamate
CID 87404568
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
[4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]phenyl]boronic acid
CID 74889329
tert-butyl N-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]-N-(2-methylpropyl)carbamate
CID 67448637
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate
CID 175288326
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
tert-butyl N-[(2R)-2-[2-fluoro-4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67448685
9-[4-[4-(dimethylamino)butan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450415
tert-butyl N-[2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67450206
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[f][1,7]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549962
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[c][2,6]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549918

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate (CID 175288363) is tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c(Cl)c(C)c23)cc1.
What is the InChIKey of tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate?
The InChIKey is NNMUAZCXSKSQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O4/c1-8-13-29(25(31)33-26(4,5)6)18-11-9-17(10-12-18)21-19(32-7)14-15(2)23-20(21)16(3)22(27)24(30)28-23/h9-12,14H,8,13H2,1-7H3,(H,28,30).
What are the key properties of tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate?
tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate has a molecular weight of 471.00 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-chloro-6-methoxy-4,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]-N-propylcarbamate is sourced from PubChem (CID 175288363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).