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

C21H21F2N3O2 — CID 91907607

IUPACN-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCCN1c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2C(=O)N2CCCCC21
InChIInChI=1S/C21H21F2N3O2/c1-2-25-18-9-13(20(27)24-16-11-14(22)10-15(23)12-16)6-7-17(18)21(28)26-8-4-3-5-19(25)26/h6-7,9-12,19H,2-5,8H2,1H3,(H,24,27)
InChIKeyZHYAGCBPBFJBAT-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.01
Rot. Bonds3

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

N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 91907607) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID91907607
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
SMILESCCN1c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2C(=O)N2CCCCC21
InChIInChI=1S/C21H21F2N3O2/c1-2-25-18-9-13(20(27)24-16-11-14(22)10-15(23)12-16)6-7-17(18)21(28)26-8-4-3-5-19(25)26/h6-7,9-12,19H,2-5,8H2,1H3,(H,24,27)
InChIKeyZHYAGCBPBFJBAT-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide (CID 91907607) is N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is CCN1c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2C(=O)N2CCCCC21.
What is the InChIKey of N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is ZHYAGCBPBFJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-2-25-18-9-13(20(27)24-16-11-14(22)10-15(23)12-16)6-7-17(18)21(28)26-8-4-3-5-19(25)26/h6-7,9-12,19H,2-5,8H2,1H3,(H,24,27).
What are the key properties of N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide?
N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 91907607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).