2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine

C24H30ClN5 — CID 20963288

IUPAC2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
SMILESCCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H30ClN5/c1-2-13-29-15-17-30(18-16-29)14-5-12-26-24-21-6-3-4-7-22(21)27-23(28-24)19-8-10-20(25)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,26,27,28)
InChIKeyLMJBKTQETHFGKU-UHFFFAOYSA-N
MW423.99 g/mol
LogP4.78
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine

2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine (PubChem CID 20963288) has the molecular formula C24H30ClN5 and a molecular weight of 423.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
PubChem CID20963288
Molecular FormulaC24H30ClN5
Molecular Weight423.99 g/mol
Exact Mass423.22
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
SMILESCCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H30ClN5/c1-2-13-29-15-17-30(18-16-29)14-5-12-26-24-21-6-3-4-7-22(21)27-23(28-24)19-8-10-20(25)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,26,27,28)
InChIKeyLMJBKTQETHFGKU-UHFFFAOYSA-N
XLogP4.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
CID 166192855
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine (CID 20963288) is 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine is CCCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine?
The InChIKey is LMJBKTQETHFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5/c1-2-13-29-15-17-30(18-16-29)14-5-12-26-24-21-6-3-4-7-22(21)27-23(28-24)19-8-10-20(25)11-9-19/h3-4,6-11H,2,5,12-18H2,1H3,(H,26,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine?
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine has a molecular weight of 423.99 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine is sourced from PubChem (CID 20963288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).