N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide

C23H21FN4O2 — CID 163919840

IUPACN-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
SMILESCc1cc2c3c([nH]c(=O)c2cc1F)CNCC3N(C)C(=O)c1ccc2cccn2c1
InChIInChI=1S/C23H21FN4O2/c1-13-8-16-17(9-18(13)24)22(29)26-19-10-25-11-20(21(16)19)27(2)23(30)14-5-6-15-4-3-7-28(15)12-14/h3-9,12,20,25H,10-11H2,1-2H3,(H,26,29)
InChIKeyQZLZAZJCRZDAEV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.14
Rot. Bonds2

About N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide

N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide (PubChem CID 163919840) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
PubChem CID163919840
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
SMILESCc1cc2c3c([nH]c(=O)c2cc1F)CNCC3N(C)C(=O)c1ccc2cccn2c1
InChIInChI=1S/C23H21FN4O2/c1-13-8-16-17(9-18(13)24)22(29)26-19-10-25-11-20(21(16)19)27(2)23(30)14-5-6-15-4-3-7-28(15)12-14/h3-9,12,20,25H,10-11H2,1-2H3,(H,26,29)
InChIKeyQZLZAZJCRZDAEV-UHFFFAOYSA-N
XLogP3.14
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide with MolForge

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Related Compounds

N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526823
8-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylindolizine-2-carboxamide
CID 166526061
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
CID 166526866
4-chloro-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-3,5-difluoro-N-methylbenzamide
CID 166526795
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 166526527
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-5,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526638
4-chloro-3,5-difluoro-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylbenzamide
CID 166526750
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydrothiopyrano[3,4-c]isoquinolin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526917
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526783
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide
CID 175362644
8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide
CID 175615079
6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
CID 175614781

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide?
The IUPAC name of N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide (CID 163919840) is N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide.
What is the SMILES notation for N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide?
The canonical SMILES for N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide is Cc1cc2c3c([nH]c(=O)c2cc1F)CNCC3N(C)C(=O)c1ccc2cccn2c1.
What is the InChIKey of N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide?
The InChIKey is QZLZAZJCRZDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-13-8-16-17(9-18(13)24)22(29)26-19-10-25-11-20(21(16)19)27(2)23(30)14-5-6-15-4-3-7-28(15)12-14/h3-9,12,20,25H,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide?
N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide is sourced from PubChem (CID 163919840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).