4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one

C11H12ClN3O — CID 105499859

IUPAC4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
SMILESNCCCc1[nH]c(=O)nc2ccc(Cl)cc12
InChIInChI=1S/C11H12ClN3O/c12-7-3-4-10-8(6-7)9(2-1-5-13)14-11(16)15-10/h3-4,6H,1-2,5,13H2,(H,14,15,16)
InChIKeySCMASBAYDLIPHN-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.47
Rot. Bonds3

About 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one

4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one (PubChem CID 105499859) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
PubChem CID105499859
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
SMILESNCCCc1[nH]c(=O)nc2ccc(Cl)cc12
InChIInChI=1S/C11H12ClN3O/c12-7-3-4-10-8(6-7)9(2-1-5-13)14-11(16)15-10/h3-4,6H,1-2,5,13H2,(H,14,15,16)
InChIKeySCMASBAYDLIPHN-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
CID 105463660
2-(5-chloro-2H-indazol-3-yl)ethanamine
CID 55254326
7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
CID 105498477
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
CID 105475154
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one
CID 170868268
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one?
The IUPAC name of 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one (CID 105499859) is 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one is NCCCc1[nH]c(=O)nc2ccc(Cl)cc12.
What is the InChIKey of 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one?
The InChIKey is SCMASBAYDLIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-7-3-4-10-8(6-7)9(2-1-5-13)14-11(16)15-10/h3-4,6H,1-2,5,13H2,(H,14,15,16).
What are the key properties of 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one?
4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one has a molecular weight of 237.69 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one is sourced from PubChem (CID 105499859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).