N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

C20H15FN4O — CID 70789647

IUPACN-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C20H15FN4O/c1-26-18-7-6-14(12-16(18)21)23-20-15-4-2-3-5-17(15)24-19(25-20)13-8-10-22-11-9-13/h2-12H,1H3,(H,23,24,25)
InChIKeyRELYTYMFLMSHQI-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.58
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789647) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789647
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C20H15FN4O/c1-26-18-7-6-14(12-16(18)21)23-20-15-4-2-3-5-17(15)24-19(25-20)13-8-10-22-11-9-13/h2-12H,1H3,(H,23,24,25)
InChIKeyRELYTYMFLMSHQI-UHFFFAOYSA-N
XLogP4.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 70789647) is N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is COc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is RELYTYMFLMSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-26-18-7-6-14(12-16(18)21)23-20-15-4-2-3-5-17(15)24-19(25-20)13-8-10-22-11-9-13/h2-12H,1H3,(H,23,24,25).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 346.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).