5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine

C16H14ClN3 — CID 87057014

IUPAC5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-11(12-6-3-2-4-7-12)20-16-15-13(17)8-5-9-14(15)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyKKNMASPTQAIFCW-LLVKDONJSA-N
MW283.76 g/mol
LogP4.46
Rot. Bonds3

About 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine

5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine (PubChem CID 87057014) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
PubChem CID87057014
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-11(12-6-3-2-4-7-12)20-16-15-13(17)8-5-9-14(15)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyKKNMASPTQAIFCW-LLVKDONJSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55853802
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
4-chloro-6-(1-phenylethylamino)pyrimidine-5-carbonitrile
CID 87643070
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187568
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 97129414

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine (CID 87057014) is 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The canonical SMILES for 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine is C[C@@H](Nc1ncnc2cccc(Cl)c12)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The InChIKey is KKNMASPTQAIFCW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11(12-6-3-2-4-7-12)20-16-15-13(17)8-5-9-14(15)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 87057014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).