6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine

C16H22ClN5 — CID 25178132

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-11(2)18-15-13-10-12(17)4-5-14(13)19-16(20-15)22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyGGBKKIVDGBAYTK-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine (PubChem CID 25178132) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
PubChem CID25178132
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-11(2)18-15-13-10-12(17)4-5-14(13)19-16(20-15)22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyGGBKKIVDGBAYTK-UHFFFAOYSA-N
XLogP2.86
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
4-(3-Chloroanilino)quinazoline
CID 128872
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
1,4-Pentanediamine, N(sup 4)-(2-(2-(4-bromophenyl)ethenyl)-7-chloro-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 5285750
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
6-Chloroquinazoline-2,4-diamine
CID 256219
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine (CID 25178132) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine?
The InChIKey is GGBKKIVDGBAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-11(2)18-15-13-10-12(17)4-5-14(13)19-16(20-15)22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine has a molecular weight of 319.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 25178132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).