1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate

C33H45N3O3 — CID 142073403

IUPAC1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate
SMILESCCCC(CCN1CCCCC1)OC(=O)Nc1cc(C)c(Cc2ccnc3cc(OC)c(CC)cc23)cc1C
InChIInChI=1S/C33H45N3O3/c1-6-11-28(13-17-36-15-9-8-10-16-36)39-33(37)35-30-19-23(3)27(18-24(30)4)20-26-12-14-34-31-22-32(38-5)25(7-2)21-29(26)31/h12,14,18-19,21-22,28H,6-11,13,15-17,20H2,1-5H3,(H,35,37)
InChIKeyYJQDEFRKUWAMIG-UHFFFAOYSA-N
MW531.74 g/mol
LogP7.61
Rot. Bonds11

About 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate

1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate (PubChem CID 142073403) has the molecular formula C33H45N3O3 and a molecular weight of 531.74 g/mol. Its IUPAC name is 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate.

Molecular Properties

Compound Name1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate
PubChem CID142073403
Molecular FormulaC33H45N3O3
Molecular Weight531.74 g/mol
Exact Mass531.35
IUPAC Name1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate
SMILESCCCC(CCN1CCCCC1)OC(=O)Nc1cc(C)c(Cc2ccnc3cc(OC)c(CC)cc23)cc1C
InChIInChI=1S/C33H45N3O3/c1-6-11-28(13-17-36-15-9-8-10-16-36)39-33(37)35-30-19-23(3)27(18-24(30)4)20-26-12-14-34-31-22-32(38-5)25(7-2)21-29(26)31/h12,14,18-19,21-22,28H,6-11,13,15-17,20H2,1-5H3,(H,35,37)
InChIKeyYJQDEFRKUWAMIG-UHFFFAOYSA-N
XLogP7.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.74
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 58739028
2-(diethylamino)ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-(diethylamino)ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;pyridin-4-ylmethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;pyridin-4-ylmethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 160923634
(1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 58739000
4-(6-ethyl-7-methoxyquinolin-4-yl)oxy-N,2,3-trimethylaniline
CID 142073560
1,3-di(piperidin-1-yl)propan-2-yl N-(2-hexoxyphenyl)carbamate;dihydrochloride
CID 3087312
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 58739041
N-[3-fluoro-4-[[6-methoxy-7-(2-piperidin-1-ylethoxy)quinolin-4-yl]methyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70964488
4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline
CID 130443606
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
1-N'-[5-fluoro-4-[2-[6-methoxy-7-(5-morpholin-4-ylpentyl)quinolin-4-yl]ethyl]-2-methylphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90048398
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate?
The IUPAC name of 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate (CID 142073403) is 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate.
What is the SMILES notation for 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate?
The canonical SMILES for 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate is CCCC(CCN1CCCCC1)OC(=O)Nc1cc(C)c(Cc2ccnc3cc(OC)c(CC)cc23)cc1C.
What is the InChIKey of 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate?
The InChIKey is YJQDEFRKUWAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3O3/c1-6-11-28(13-17-36-15-9-8-10-16-36)39-33(37)35-30-19-23(3)27(18-24(30)4)20-26-12-14-34-31-22-32(38-5)25(7-2)21-29(26)31/h12,14,18-19,21-22,28H,6-11,13,15-17,20H2,1-5H3,(H,35,37).
What are the key properties of 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate?
1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate has a molecular weight of 531.74 g/mol, XLogP of 7.61, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhexan-3-yl N-[4-[(6-ethyl-7-methoxyquinolin-4-yl)methyl]-2,5-dimethylphenyl]carbamate is sourced from PubChem (CID 142073403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).