2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine

C22H26ClN5 — CID 91966246

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
SMILESCCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26)
InChIKeyGLLUVBGKZGUSMB-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.43
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine (PubChem CID 91966246) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
PubChem CID91966246
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
SMILESCCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26)
InChIKeyGLLUVBGKZGUSMB-UHFFFAOYSA-N
XLogP4.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4-Quinazolinediamine, 5-chloro-
CID 205130
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
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
4-(3-Chloroanilino)quinazoline
CID 128872

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine (CID 91966246) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine is CCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The InChIKey is GLLUVBGKZGUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine has a molecular weight of 395.94 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine is sourced from PubChem (CID 91966246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).