N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine

C19H16Cl2N6 — CID 10126697

IUPACN'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESClc1ccc(-c2nc(NCCNc3ccn[nH]3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C19H16Cl2N6/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)23-10-9-22-17-7-8-24-27-17/h1-8,11H,9-10H2,(H2,22,24,27)(H,23,25,26)
InChIKeyQRVZLAOHVZPXJQ-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.85
Rot. Bonds6

About N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine

N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (PubChem CID 10126697) has the molecular formula C19H16Cl2N6 and a molecular weight of 399.29 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
PubChem CID10126697
Molecular FormulaC19H16Cl2N6
Molecular Weight399.29 g/mol
Exact Mass398.08
IUPAC NameN'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESClc1ccc(-c2nc(NCCNc3ccn[nH]3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C19H16Cl2N6/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)23-10-9-22-17-7-8-24-27-17/h1-8,11H,9-10H2,(H2,22,24,27)(H,23,25,26)
InChIKeyQRVZLAOHVZPXJQ-UHFFFAOYSA-N
XLogP4.85
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
CID 142253434
N'-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butyl]-3-(methylamino)prop-2-enimidamide
CID 173480564
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
CID 171981731
5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile
CID 10238243
N-[3-chloro-4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378083
2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine
CID 7144657
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
CID 142172419

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (CID 10126697) is N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is Clc1ccc(-c2nc(NCCNc3ccn[nH]3)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is QRVZLAOHVZPXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)23-10-9-22-17-7-8-24-27-17/h1-8,11H,9-10H2,(H2,22,24,27)(H,23,25,26).
What are the key properties of N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?
N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 399.29 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 10126697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).