N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine

C16H13Cl2N3 — CID 60677573

IUPACN-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-10(12-7-6-11(17)8-14(12)18)21-16-13-4-2-3-5-15(13)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyMFUJUICEMBQKDQ-UHFFFAOYSA-N
MW318.21 g/mol
LogP5.11
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine

N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine (PubChem CID 60677573) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
PubChem CID60677573
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-10(12-7-6-11(17)8-14(12)18)21-16-13-4-2-3-5-15(13)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyMFUJUICEMBQKDQ-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.21
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 4879244
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 9325215
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
CID 133361537
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine (CID 60677573) is N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine is CC(Nc1ncnc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is MFUJUICEMBQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-10(12-7-6-11(17)8-14(12)18)21-16-13-4-2-3-5-15(13)19-9-20-16/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine?
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine has a molecular weight of 318.21 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 60677573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).