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

C18H18N4O2 — CID 135566762

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
InChIInChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
InChIKeyHWTVYWVFOWWESR-GFCCVEGCSA-N
MW322.37 g/mol
LogP2.13
Rot. Bonds5

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

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide (PubChem CID 135566762) 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-[(1R)-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
PubChem CID135566762
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
InChIInChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
InChIKeyHWTVYWVFOWWESR-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide (CID 135566762) is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide is C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The InChIKey is HWTVYWVFOWWESR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1.
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-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-[(1R)-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 135566762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).