N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine

C19H14ClN3S — CID 91964379

IUPACN-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14ClN3S/c1-12-14(20)7-4-9-15(12)21-18-13-6-2-3-8-16(13)22-19(23-18)17-10-5-11-24-17/h2-11H,1H3,(H,21,22,23)
InChIKeyNBTSSCGVKWQMIM-UHFFFAOYSA-N
MW351.86 g/mol
LogP6.06
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine

N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 91964379) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID91964379
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14ClN3S/c1-12-14(20)7-4-9-15(12)21-18-13-6-2-3-8-16(13)22-19(23-18)17-10-5-11-24-17/h2-11H,1H3,(H,21,22,23)
InChIKeyNBTSSCGVKWQMIM-UHFFFAOYSA-N
XLogP6.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
CID 5204152
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
3-methyl-1-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrole-2,5-dione
CID 15435237
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine
CID 91964196

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine (CID 91964379) is N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine is Cc1c(Cl)cccc1Nc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is NBTSSCGVKWQMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c1-12-14(20)7-4-9-15(12)21-18-13-6-2-3-8-16(13)22-19(23-18)17-10-5-11-24-17/h2-11H,1H3,(H,21,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 351.86 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 91964379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).