N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C25H29N3O6S — CID 68902077

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N3O6S/c1-27-10-11-34-24-14-19(8-9-22(24)27)35(31,32)28(21-4-3-5-23(21)29)15-17-12-16-6-7-18(33-2)13-20(16)26-25(17)30/h6-9,12-14,21,23,29H,3-5,10-11,15H2,1-2H3,(H,26,30)/t21-,23-/m1/s1
InChIKeyJEZCJEJDHAIGKQ-FYYLOGMGSA-N
MW499.59 g/mol
LogP2.47
Rot. Bonds6

About N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 68902077) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID68902077
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N3O6S/c1-27-10-11-34-24-14-19(8-9-22(24)27)35(31,32)28(21-4-3-5-23(21)29)15-17-12-16-6-7-18(33-2)13-20(16)26-25(17)30/h6-9,12-14,21,23,29H,3-5,10-11,15H2,1-2H3,(H,26,30)/t21-,23-/m1/s1
InChIKeyJEZCJEJDHAIGKQ-FYYLOGMGSA-N
XLogP2.47
TPSA112.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide;hydrochloride
CID 69445773
N-[(8-chloro-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxycyclopentyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 69447445
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 68902027
4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194
N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 68901085
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373419
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1137598
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1437034
7-methoxy-3-[[methyl-[(2R)-2-morpholin-4-ylpropyl]amino]methyl]-1H-quinolin-2-one
CID 95213505
7-methoxy-3-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 56716187
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102
4-chloro-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 655996

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 68902077) is N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is COc1ccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is JEZCJEJDHAIGKQ-FYYLOGMGSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-27-10-11-34-24-14-19(8-9-22(24)27)35(31,32)28(21-4-3-5-23(21)29)15-17-12-16-6-7-18(33-2)13-20(16)26-25(17)30/h6-9,12-14,21,23,29H,3-5,10-11,15H2,1-2H3,(H,26,30)/t21-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopentyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 68902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).