N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide

C12H17N3O2 — CID 135470038

IUPACN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H17N3O2/c1-2-5-10(16)14-12-13-9-7-4-3-6-8(9)11(17)15-12/h2-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyXMEHXYNCYGAEAQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds3

About N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide

N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide (PubChem CID 135470038) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
PubChem CID135470038
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H17N3O2/c1-2-5-10(16)14-12-13-9-7-4-3-6-8(9)11(17)15-12/h2-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyXMEHXYNCYGAEAQ-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethirimol
CID 135424354
2-Amino-5-butyl-6-methyl-4(3H)-pyrimidinone
CID 135418936
Dimethirimol
CID 135424353
5,6,7,8-Tetrahydro-2-(1-piperidinyl)-4(3H)-quinazolinone
CID 135417546
4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-
CID 135431271
2-Amino-5,6,7,8-Tetrahydro-4-Quinazolinol
CID 135504743
3-methyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)butanamide
CID 135476804
N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135472898
2,2-dimethyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135439623
(4-Oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thiourea
CID 135537937
2-Chloro-3,4,5,6,7,8-hexahydroquinazolin-4-one
CID 135409706
2-Amino-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
CID 135419068

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide (CID 135470038) is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide is CCCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The InChIKey is XMEHXYNCYGAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-5-10(16)14-12-13-9-7-4-3-6-8(9)11(17)15-12/h2-7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide has a molecular weight of 235.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135470038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).