2-anilino-3-propylquinazolin-4-one

C17H17N3O — CID 10901968

IUPAC2-anilino-3-propylquinazolin-4-one
SMILESCCCn1c(Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-2-12-20-16(21)14-10-6-7-11-15(14)19-17(20)18-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyOPCADNUKBQOPTQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds4

About 2-anilino-3-propylquinazolin-4-one

2-anilino-3-propylquinazolin-4-one (PubChem CID 10901968) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-anilino-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-anilino-3-propylquinazolin-4-one
PubChem CID10901968
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-anilino-3-propylquinazolin-4-one
SMILESCCCn1c(Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-2-12-20-16(21)14-10-6-7-11-15(14)19-17(20)18-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyOPCADNUKBQOPTQ-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
CID 74766058
2-anilino-1-butylquinazolin-4-one
CID 23731821
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
2-amino-3-butylquinazolin-4-one
CID 71653207
3-ethyl-2-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]quinazolin-4-one
CID 50906046

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-propylquinazolin-4-one?
The IUPAC name of 2-anilino-3-propylquinazolin-4-one (CID 10901968) is 2-anilino-3-propylquinazolin-4-one.
What is the SMILES notation for 2-anilino-3-propylquinazolin-4-one?
The canonical SMILES for 2-anilino-3-propylquinazolin-4-one is CCCn1c(Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-anilino-3-propylquinazolin-4-one?
The InChIKey is OPCADNUKBQOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-12-20-16(21)14-10-6-7-11-15(14)19-17(20)18-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of 2-anilino-3-propylquinazolin-4-one?
2-anilino-3-propylquinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-propylquinazolin-4-one is sourced from PubChem (CID 10901968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).