2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

C24H22FN5O2 — CID 122444958

IUPAC2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCC(C)Oc1cccc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)c1
InChIInChI=1S/C24H22FN5O2/c1-14(2)32-17-8-3-6-15(12-17)20-11-4-7-16(28-20)13-27-23(31)22-18-9-5-10-19(25)21(18)29-24(26)30-22/h3-12,14H,13H2,1-2H3,(H,27,31)(H2,26,29,30)
InChIKeyUXNVOAWJIOYOFQ-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.13
Rot. Bonds6

About 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 122444958) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID122444958
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCC(C)Oc1cccc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)c1
InChIInChI=1S/C24H22FN5O2/c1-14(2)32-17-8-3-6-15(12-17)20-11-4-7-16(28-20)13-27-23(31)22-18-9-5-10-19(25)21(18)29-24(26)30-22/h3-12,14H,13H2,1-2H3,(H,27,31)(H2,26,29,30)
InChIKeyUXNVOAWJIOYOFQ-UHFFFAOYSA-N
XLogP4.13
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 122444958) is 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is CC(C)Oc1cccc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)c1.
What is the InChIKey of 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is UXNVOAWJIOYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-14(2)32-17-8-3-6-15(12-17)20-11-4-7-16(28-20)13-27-23(31)22-18-9-5-10-19(25)21(18)29-24(26)30-22/h3-12,14H,13H2,1-2H3,(H,27,31)(H2,26,29,30).
What are the key properties of 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).