2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

C20H21N3O2 — CID 731357

IUPAC2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-15-10-8-14(9-11-15)19-22-18-7-3-2-6-17(18)20(23-19)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeySPSWPQCNBRSYGT-MRXNPFEDSA-N
MW335.41 g/mol
LogP3.90
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 731357) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID731357
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-15-10-8-14(9-11-15)19-22-18-7-3-2-6-17(18)20(23-19)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeySPSWPQCNBRSYGT-MRXNPFEDSA-N
XLogP3.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 1318726
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (CID 731357) is 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is COc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is SPSWPQCNBRSYGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-15-10-8-14(9-11-15)19-22-18-7-3-2-6-17(18)20(23-19)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,22,23)/t16-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 731357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).