4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide

C22H23N3O2 — CID 17419592

IUPAC4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-20(23-15-22(12-13-22)17-7-2-1-3-8-17)11-6-14-25-16-24-19-10-5-4-9-18(19)21(25)27/h1-5,7-10,16H,6,11-15H2,(H,23,26)
InChIKeyHKINVVITEHNGMM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.02
Rot. Bonds7

About 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide

4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide (PubChem CID 17419592) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
PubChem CID17419592
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-20(23-15-22(12-13-22)17-7-2-1-3-8-17)11-6-14-25-16-24-19-10-5-4-9-18(19)21(25)27/h1-5,7-10,16H,6,11-15H2,(H,23,26)
InChIKeyHKINVVITEHNGMM-UHFFFAOYSA-N
XLogP3.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide (CID 17419592) is 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide is O=C(CCCn1cnc2ccccc2c1=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The InChIKey is HKINVVITEHNGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-20(23-15-22(12-13-22)17-7-2-1-3-8-17)11-6-14-25-16-24-19-10-5-4-9-18(19)21(25)27/h1-5,7-10,16H,6,11-15H2,(H,23,26).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide has a molecular weight of 361.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 17419592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).