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

C11H15N3O2 — CID 135472898

IUPACN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C11H15N3O2/c1-2-9(15)13-11-12-8-6-4-3-5-7(8)10(16)14-11/h2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeyKCPRLYKOXLXRHL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.00
Rot. Bonds2

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

N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (PubChem CID 135472898) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
PubChem CID135472898
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C11H15N3O2/c1-2-9(15)13-11-12-8-6-4-3-5-7(8)10(16)14-11/h2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeyKCPRLYKOXLXRHL-UHFFFAOYSA-N
XLogP1.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.00
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
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
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-methyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135439622
N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)butanamide
CID 135470038
N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)cyclopropanecarboxamide
CID 135476805

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (CID 135472898) is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is CCC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The InChIKey is KCPRLYKOXLXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-9(15)13-11-12-8-6-4-3-5-7(8)10(16)14-11/h2-6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide has a molecular weight of 221.26 g/mol, XLogP of 1.00, 2 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)propanamide is sourced from PubChem (CID 135472898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).