4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine

C22H25Cl2N5 — CID 12703339

IUPAC4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCCCN3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H25Cl2N5/c23-16-13-17(24)15-18(14-16)26-21-19-7-2-3-8-20(19)27-22(28-21)25-9-6-12-29-10-4-1-5-11-29/h2-3,7-8,13-15H,1,4-6,9-12H2,(H2,25,26,27,28)
InChIKeyDXSHUZCHVWFSGP-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.97
Rot. Bonds7

About 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine

4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine (PubChem CID 12703339) has the molecular formula C22H25Cl2N5 and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
PubChem CID12703339
Molecular FormulaC22H25Cl2N5
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC Name4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCCCN3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H25Cl2N5/c23-16-13-17(24)15-18(14-16)26-21-19-7-2-3-8-20(19)27-22(28-21)25-9-6-12-29-10-4-1-5-11-29/h2-3,7-8,13-15H,1,4-6,9-12H2,(H2,25,26,27,28)
InChIKeyDXSHUZCHVWFSGP-UHFFFAOYSA-N
XLogP5.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 73050865
N-(3-pyrrolidin-1-ylpropyl)-2,1-benzothiazol-3-amine
CID 66355718

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine (CID 12703339) is 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine is Clc1cc(Cl)cc(Nc2nc(NCCCN3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine?
The InChIKey is DXSHUZCHVWFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5/c23-16-13-17(24)15-18(14-16)26-21-19-7-2-3-8-20(19)27-22(28-21)25-9-6-12-29-10-4-1-5-11-29/h2-3,7-8,13-15H,1,4-6,9-12H2,(H2,25,26,27,28).
What are the key properties of 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine?
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine has a molecular weight of 430.38 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 12703339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).