3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C18H18N4O2 — CID 136743264

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccnc1
InChIInChI=1S/C18H18N4O2/c1-12(13-5-4-10-19-11-13)20-17(23)9-8-16-21-15-7-3-2-6-14(15)18(24)22-16/h2-7,10-12H,8-9H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
InChIKeyMHAJDVZVYIUZAQ-LBPRGKRZSA-N
MW322.37 g/mol
LogP2.13
Rot. Bonds5

About 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 136743264) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID136743264
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccnc1
InChIInChI=1S/C18H18N4O2/c1-12(13-5-4-10-19-11-13)20-17(23)9-8-16-21-15-7-3-2-6-14(15)18(24)22-16/h2-7,10-12H,8-9H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
InChIKeyMHAJDVZVYIUZAQ-LBPRGKRZSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135797631
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 136743264) is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccnc1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is MHAJDVZVYIUZAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(13-5-4-10-19-11-13)20-17(23)9-8-16-21-15-7-3-2-6-14(15)18(24)22-16/h2-7,10-12H,8-9H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1.
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 136743264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).