N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide

C25H27ClN4O4S — CID 24744219

IUPACN-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(Nc1ccc(Cl)cn1)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CC3)ccc2c1=O
InChIInChI=1S/C25H27ClN4O4S/c26-17-6-11-23(27-14-17)29-24(31)22(12-16-4-2-1-3-5-16)30-15-28-21-13-19(9-10-20(21)25(30)32)35(33,34)18-7-8-18/h6,9-11,13-16,18,22H,1-5,7-8,12H2,(H,27,29,31)
InChIKeyGNTVJWXHJKIBFS-UHFFFAOYSA-N
MW515.04 g/mol
LogP4.53
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide

N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 24744219) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID24744219
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC NameN-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(Nc1ccc(Cl)cn1)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CC3)ccc2c1=O
InChIInChI=1S/C25H27ClN4O4S/c26-17-6-11-23(27-14-17)29-24(31)22(12-16-4-2-1-3-5-16)30-15-28-21-13-19(9-10-20(21)25(30)32)35(33,34)18-7-8-18/h6,9-11,13-16,18,22H,1-5,7-8,12H2,(H,27,29,31)
InChIKeyGNTVJWXHJKIBFS-UHFFFAOYSA-N
XLogP4.53
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate
CID 58967469
3-[1-[(5-carbamoyl-2-pyridinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-N-cyclopropyl-4-oxoquinazoline-7-carboxamide
CID 57461531
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
CID 57461512
7-cyclopentylsulfonyl-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123234551
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
CID 57461528
3-[4-(5-chloro-2-pyridinyl)-1-cyclohexyl-3-oxobutan-2-yl]-7-(2-cyclopropylacetyl)quinazolin-4-one
CID 123824341
6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
CID 24962519
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-quinolin-2-ylpropanamide
CID 57461552
methyl 6-[4-cyclohexyl-3-(7-methylsulfonyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxylate
CID 123347575
methyl 6-[3-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)-2-oxo-4-(oxolan-2-yl)butyl]pyridine-3-carboxylate
CID 123594392
2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 57461506
(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
CID 16722628

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide (CID 24744219) is N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide is O=C(Nc1ccc(Cl)cn1)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CC3)ccc2c1=O.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is GNTVJWXHJKIBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c26-17-6-11-23(27-14-17)29-24(31)22(12-16-4-2-1-3-5-16)30-15-28-21-13-19(9-10-20(21)25(30)32)35(33,34)18-7-8-18/h6,9-11,13-16,18,22H,1-5,7-8,12H2,(H,27,29,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide?
N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 515.04 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 24744219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).