2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine

C19H19Cl2N5 — CID 134109487

IUPAC2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NC3CCNCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H19Cl2N5/c20-12-9-13(21)11-15(10-12)24-19-25-17-4-2-1-3-16(17)18(26-19)23-14-5-7-22-8-6-14/h1-4,9-11,14,22H,5-8H2,(H2,23,24,25,26)
InChIKeyKUKIEHZUCCGXHN-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.84
Rot. Bonds4

About 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine

2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine (PubChem CID 134109487) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine
PubChem CID134109487
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NC3CCNCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H19Cl2N5/c20-12-9-13(21)11-15(10-12)24-19-25-17-4-2-1-3-16(17)18(26-19)23-14-5-7-22-8-6-14/h1-4,9-11,14,22H,5-8H2,(H2,23,24,25,26)
InChIKeyKUKIEHZUCCGXHN-UHFFFAOYSA-N
XLogP4.84
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,5-dichlorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine;hydrochloride
CID 54600244
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
2-chloro-4-[[4-(cyclohexylamino)quinazolin-2-yl]amino]benzonitrile
CID 134115945
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 50946478
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68778549

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine (CID 134109487) is 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine is Clc1cc(Cl)cc(Nc2nc(NC3CCNCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine?
The InChIKey is KUKIEHZUCCGXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c20-12-9-13(21)11-15(10-12)24-19-25-17-4-2-1-3-16(17)18(26-19)23-14-5-7-22-8-6-14/h1-4,9-11,14,22H,5-8H2,(H2,23,24,25,26).
What are the key properties of 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine?
2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine has a molecular weight of 388.30 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine is sourced from PubChem (CID 134109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).