2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine

C19H18ClN3O — CID 715619

IUPAC2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESClc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,22,23)/t15-/m0/s1
InChIKeyLJVKVWCPLOICDK-HNNXBMFYSA-N
MW339.83 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine

2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 715619) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID715619
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESClc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,22,23)/t15-/m0/s1
InChIKeyLJVKVWCPLOICDK-HNNXBMFYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 1318726
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 58809678
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090
N-(oxolan-2-ylmethyl)-11H-indolo[3,2-c]quinolin-6-amine
CID 90670027
2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
CID 123240505

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine (CID 715619) is 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine is Clc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is LJVKVWCPLOICDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,22,23)/t15-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine?
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 715619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).