3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride

C10H11Cl2N3O — CID 45371352

IUPAC3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
SMILESCl.NCCn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C10H10ClN3O.ClH/c11-7-1-2-8-9(5-7)13-6-14(4-3-12)10(8)15;/h1-2,5-6H,3-4,12H2;1H
InChIKeyMMAYBXIDMLKGNI-UHFFFAOYSA-N
MW260.12 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride

3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride (PubChem CID 45371352) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
PubChem CID45371352
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
SMILESCl.NCCn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C10H10ClN3O.ClH/c11-7-1-2-8-9(5-7)13-6-14(4-3-12)10(8)15;/h1-2,5-6H,3-4,12H2;1H
InChIKeyMMAYBXIDMLKGNI-UHFFFAOYSA-N
XLogP1.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ispinesib
CID 6851740
7-Chloro-3H-quinazolin-4-one
CID 135416175
2-[(E)-2-(4-Chloro-phenyl)-vinyl]-3-methyl-3H-quinazolin-4-one
CID 5763301
5-Chloro-3,4-dihydroquinazolin-4-one
CID 135429916
N-(3-Aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
CID 71508542
1-(3-Chlorophenyl)quinazolin-4(1H)-one
CID 901934
3-(4-chlorophenyl)quinazolin-4(3H)-one
CID 328621
6-Chloroquinazolin-4(3H)-one
CID 135402273
3-(4-chlorobenzyl)quinazolin-4(3H)-one
CID 677888
1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5(1H)-one
CID 761910
Antibacterial agent 124
CID 138393306
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride (CID 45371352) is 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride is Cl.NCCn1cnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride?
The InChIKey is MMAYBXIDMLKGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O.ClH/c11-7-1-2-8-9(5-7)13-6-14(4-3-12)10(8)15;/h1-2,5-6H,3-4,12H2;1H.
What are the key properties of 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride?
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride has a molecular weight of 260.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride is sourced from PubChem (CID 45371352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).