2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one

C20H21N3O — CID 142877613

IUPAC2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
SMILESCCNc1nc(C(CC)C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-3-15(18(24)14-10-6-5-7-11-14)20-22-17-13-9-8-12-16(17)19(23-20)21-4-2/h5-13,15H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFMZOEAASRVQCSP-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.44
Rot. Bonds6

About 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one

2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one (PubChem CID 142877613) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
PubChem CID142877613
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
SMILESCCNc1nc(C(CC)C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-3-15(18(24)14-10-6-5-7-11-14)20-22-17-13-9-8-12-16(17)19(23-20)21-4-2/h5-13,15H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFMZOEAASRVQCSP-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877600
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
CID 142877709
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
ethyl 3-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate
CID 23734012
2-[(Z)-2-aminoethenyl]-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877583
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 62173751

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one?
The IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one (CID 142877613) is 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one?
The canonical SMILES for 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one is CCNc1nc(C(CC)C(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one?
The InChIKey is FMZOEAASRVQCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-15(18(24)14-10-6-5-7-11-14)20-22-17-13-9-8-12-16(17)19(23-20)21-4-2/h5-13,15H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one?
2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one has a molecular weight of 319.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one is sourced from PubChem (CID 142877613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).