N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide

C16H21N3O2 — CID 135962185

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-4-7-15(20)19(11(2)3)10-14-17-13-9-6-5-8-12(13)16(21)18-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,17,18,21)
InChIKeyZHNVHXPSZHNKOA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 135962185) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID135962185
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-4-7-15(20)19(11(2)3)10-14-17-13-9-6-5-8-12(13)16(21)18-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,17,18,21)
InChIKeyZHNVHXPSZHNKOA-UHFFFAOYSA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
4-(2-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 137284798
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135993449
3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135949301
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
CID 137281126

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide (CID 135962185) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide is CCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is ZHNVHXPSZHNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-7-15(20)19(11(2)3)10-14-17-13-9-6-5-8-12(13)16(21)18-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,17,18,21).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 135962185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).