4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride

C20H23Cl2N5 — CID 139925370

IUPAC4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(NCCN3CCCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22ClN5.ClH/c21-15-7-9-16(10-8-15)23-19-17-5-1-2-6-18(17)24-20(25-19)22-11-14-26-12-3-4-13-26;/h1-2,5-10H,3-4,11-14H2,(H2,22,23,24,25);1H
InChIKeyVXFFZQNNLSEXRM-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.96
Rot. Bonds6

About 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride

4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 139925370) has the molecular formula C20H23Cl2N5 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID139925370
Molecular FormulaC20H23Cl2N5
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC Name4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(NCCN3CCCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22ClN5.ClH/c21-15-7-9-16(10-8-15)23-19-17-5-1-2-6-18(17)24-20(25-19)22-11-14-26-12-3-4-13-26;/h1-2,5-10H,3-4,11-14H2,(H2,22,23,24,25);1H
InChIKeyVXFFZQNNLSEXRM-UHFFFAOYSA-N
XLogP4.96
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride with MolForge

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Related Compounds

2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-N-(4-methylsulfanylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 12703230
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
CID 66903127
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride (CID 139925370) is 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride is Cl.Clc1ccc(Nc2nc(NCCN3CCCC3)nc3ccccc23)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is VXFFZQNNLSEXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5.ClH/c21-15-7-9-16(10-8-15)23-19-17-5-1-2-6-18(17)24-20(25-19)22-11-14-26-12-3-4-13-26;/h1-2,5-10H,3-4,11-14H2,(H2,22,23,24,25);1H.
What are the key properties of 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride?
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 404.35 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 139925370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).