6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

C20H20FN3O2 — CID 155728566

IUPAC6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NC[C@H]3CCCO3)ncnc12
InChIInChI=1S/C20H20FN3O2/c1-25-18-10-14(13-4-6-15(21)7-5-13)9-17-19(18)23-12-24-20(17)22-11-16-3-2-8-26-16/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyYBENYQMQQQDBII-MRXNPFEDSA-N
MW353.40 g/mol
LogP4.04
Rot. Bonds5

About 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 155728566) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID155728566
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NC[C@H]3CCCO3)ncnc12
InChIInChI=1S/C20H20FN3O2/c1-25-18-10-14(13-4-6-15(21)7-5-13)9-17-19(18)23-12-24-20(17)22-11-16-3-2-8-26-16/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyYBENYQMQQQDBII-MRXNPFEDSA-N
XLogP4.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 44968192
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3553984
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (CID 155728566) is 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is COc1cc(-c2ccc(F)cc2)cc2c(NC[C@H]3CCCO3)ncnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is YBENYQMQQQDBII-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-25-18-10-14(13-4-6-15(21)7-5-13)9-17-19(18)23-12-24-20(17)22-11-16-3-2-8-26-16/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 353.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 155728566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).