(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C24H32N6O3S — CID 31127878

IUPAC(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1
InChIInChI=1S/C24H32N6O3S/c1-17(2)30-21(9-10-25-30)27-22(31)18(3)34-24-26-20-8-5-4-7-19(20)23(32)29(24)12-6-11-28-13-15-33-16-14-28/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,31)/t18-/m0/s1
InChIKeyBPRHYRBAHBGYIN-SFHVURJKSA-N
MW484.63 g/mol
LogP3.02
Rot. Bonds9

About (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 31127878) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID31127878
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1
InChIInChI=1S/C24H32N6O3S/c1-17(2)30-21(9-10-25-30)27-22(31)18(3)34-24-26-20-8-5-4-7-19(20)23(32)29(24)12-6-11-28-13-15-33-16-14-28/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,31)/t18-/m0/s1
InChIKeyBPRHYRBAHBGYIN-SFHVURJKSA-N
XLogP3.02
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 42902138
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 9329518
2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 4805168
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087616
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 18203456
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8981264
dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium
CID 9374232
N-(4-ethoxyphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 18091972
N-(2-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 46624608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 31127878) is (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1.
What is the InChIKey of (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is BPRHYRBAHBGYIN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-17(2)30-21(9-10-25-30)27-22(31)18(3)34-24-26-20-8-5-4-7-19(20)23(32)29(24)12-6-11-28-13-15-33-16-14-28/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,31)/t18-/m0/s1.
What are the key properties of (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 484.63 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 31127878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).