2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one

C13H17N3O — CID 30370658

IUPAC2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c1-10-15-12-7-4-3-6-11(12)13(17)16(10)9-5-8-14-2/h3-4,6-7,14H,5,8-9H2,1-2H3
InChIKeyUOMRLONNOKWNGH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.31
Rot. Bonds4

About 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one

2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one (PubChem CID 30370658) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
PubChem CID30370658
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c1-10-15-12-7-4-3-6-11(12)13(17)16(10)9-5-8-14-2/h3-4,6-7,14H,5,8-9H2,1-2H3
InChIKeyUOMRLONNOKWNGH-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
CID 167956083
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylpropanoic acid
CID 59723825
5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
CID 52901502
N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
CID 1257433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one (CID 30370658) is 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one is CNCCCn1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one?
The InChIKey is UOMRLONNOKWNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-15-12-7-4-3-6-11(12)13(17)16(10)9-5-8-14-2/h3-4,6-7,14H,5,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one?
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 30370658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).