2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one

C19H21N3O2 — CID 137269880

IUPAC2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
SMILESCCC(CNc1nc2ccccc2c(=O)[nH]1)Oc1ccccc1C
InChIInChI=1S/C19H21N3O2/c1-3-14(24-17-11-7-4-8-13(17)2)12-20-19-21-16-10-6-5-9-15(16)18(23)22-19/h4-11,14H,3,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyFCWOFUMEFQKYLR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one

2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one (PubChem CID 137269880) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
PubChem CID137269880
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
SMILESCCC(CNc1nc2ccccc2c(=O)[nH]1)Oc1ccccc1C
InChIInChI=1S/C19H21N3O2/c1-3-14(24-17-11-7-4-8-13(17)2)12-20-19-21-16-10-6-5-9-15(16)18(23)22-19/h4-11,14H,3,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyFCWOFUMEFQKYLR-UHFFFAOYSA-N
XLogP3.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3H-quinazolin-4-one
CID 136748011
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
CID 137258168
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 135797209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one (CID 137269880) is 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one is CCC(CNc1nc2ccccc2c(=O)[nH]1)Oc1ccccc1C.
What is the InChIKey of 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one?
The InChIKey is FCWOFUMEFQKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14(24-17-11-7-4-8-13(17)2)12-20-19-21-16-10-6-5-9-15(16)18(23)22-19/h4-11,14H,3,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one?
2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137269880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).