N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine

C19H20FN3O4 — CID 18796778

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C19H20FN3O4/c1-24-14-6-5-11(7-13(14)20)9-21-19-12-8-15(25-2)17(26-3)18(27-4)16(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,21,22,23)
InChIKeyVQPRCCROWZUYDO-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.42
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 18796778) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID18796778
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C19H20FN3O4/c1-24-14-6-5-11(7-13(14)20)9-21-19-12-8-15(25-2)17(26-3)18(27-4)16(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,21,22,23)
InChIKeyVQPRCCROWZUYDO-UHFFFAOYSA-N
XLogP3.42
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine (CID 18796778) is N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine is COc1ccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is VQPRCCROWZUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-24-14-6-5-11(7-13(14)20)9-21-19-12-8-15(25-2)17(26-3)18(27-4)16(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,21,22,23).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 373.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 18796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).