N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide

C27H27N5O5S — CID 77107728

IUPACN-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)c(NS(C)(=O)=O)c5)cc4c32)cc1
InChIInChI=1S/C27H27N5O5S/c1-16(17-6-9-20(36-3)10-7-17)32-25-21-12-18(8-11-22(21)28-15-24(25)31(2)27(32)33)19-13-23(30-38(5,34)35)26(37-4)29-14-19/h6-16,30H,1-5H3/t16-/m1/s1
InChIKeyDFPZBLDHUGUTTC-MRXNPFEDSA-N
MW533.61 g/mol
LogP3.95
Rot. Bonds7

About N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 77107728) has the molecular formula C27H27N5O5S and a molecular weight of 533.61 g/mol. Its IUPAC name is N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide
PubChem CID77107728
Molecular FormulaC27H27N5O5S
Molecular Weight533.61 g/mol
Exact Mass533.17
IUPAC NameN-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)c(NS(C)(=O)=O)c5)cc4c32)cc1
InChIInChI=1S/C27H27N5O5S/c1-16(17-6-9-20(36-3)10-7-17)32-25-21-12-18(8-11-22(21)28-15-24(25)31(2)27(32)33)19-13-23(30-38(5,34)35)26(37-4)29-14-19/h6-16,30H,1-5H3/t16-/m1/s1
InChIKeyDFPZBLDHUGUTTC-MRXNPFEDSA-N
XLogP3.95
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide (CID 77107728) is N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide is COc1ccc([C@@H](C)n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)c(NS(C)(=O)=O)c5)cc4c32)cc1.
What is the InChIKey of N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is DFPZBLDHUGUTTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H27N5O5S/c1-16(17-6-9-20(36-3)10-7-17)32-25-21-12-18(8-11-22(21)28-15-24(25)31(2)27(32)33)19-13-23(30-38(5,34)35)26(37-4)29-14-19/h6-16,30H,1-5H3/t16-/m1/s1.
What are the key properties of N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 533.61 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 77107728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).