N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

C21H22FN3O2 — CID 87054020

IUPACN-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCN1c2cc(C(=O)NCc3cccc(F)c3)ccc2C(=O)N2CCCCC21
InChIInChI=1S/C21H22FN3O2/c1-24-18-12-15(20(26)23-13-14-5-4-6-16(22)11-14)8-9-17(18)21(27)25-10-3-2-7-19(24)25/h4-6,8-9,11-12,19H,2-3,7,10,13H2,1H3,(H,23,26)
InChIKeyNWPBUPDQBSVYLS-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.16
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide

N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 87054020) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID87054020
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCN1c2cc(C(=O)NCc3cccc(F)c3)ccc2C(=O)N2CCCCC21
InChIInChI=1S/C21H22FN3O2/c1-24-18-12-15(20(26)23-13-14-5-4-6-16(22)11-14)8-9-17(18)21(27)25-10-3-2-7-19(24)25/h4-6,8-9,11-12,19H,2-3,7,10,13H2,1H3,(H,23,26)
InChIKeyNWPBUPDQBSVYLS-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (CID 87054020) is N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is CN1c2cc(C(=O)NCc3cccc(F)c3)ccc2C(=O)N2CCCCC21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is NWPBUPDQBSVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-18-12-15(20(26)23-13-14-5-4-6-16(22)11-14)8-9-17(18)21(27)25-10-3-2-7-19(24)25/h4-6,8-9,11-12,19H,2-3,7,10,13H2,1H3,(H,23,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 87054020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).