3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one

C20H23N3O2 — CID 3242716

IUPAC3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one
SMILESCCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-13-25-17-11-9-16(10-12-17)14-21-23-15(2)22-19-8-6-5-7-18(19)20(23)24/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyNANQKGPOEKAZON-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.63
Rot. Bonds7

About 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one

3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one (PubChem CID 3242716) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one
PubChem CID3242716
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one
SMILESCCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-13-25-17-11-9-16(10-12-17)14-21-23-15(2)22-19-8-6-5-7-18(19)20(23)24/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyNANQKGPOEKAZON-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
[4-[(E)-(9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]phenyl] acetate
CID 11809733
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11567596
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
CID 11581337
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11618024

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one (CID 3242716) is 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one is CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The InChIKey is NANQKGPOEKAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-4-13-25-17-11-9-16(10-12-17)14-21-23-15(2)22-19-8-6-5-7-18(19)20(23)24/h5-12,21H,3-4,13-14H2,1-2H3.
What are the key properties of 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one?
3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butoxyphenyl)methylamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 3242716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).