6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine

C23H18FN7 — CID 140902146

IUPAC6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine
SMILES[C-]#[N+]c1cnc2cc(CNc3ncnc(N4CCc5ncccc5C4)c3F)ccc2c1
InChIInChI=1S/C23H18FN7/c1-25-18-10-16-5-4-15(9-20(16)27-12-18)11-28-22-21(24)23(30-14-29-22)31-8-6-19-17(13-31)3-2-7-26-19/h2-5,7,9-10,12,14H,6,8,11,13H2,(H,28,29,30)
InChIKeyCHWXEWXFQYNFFX-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.28
Rot. Bonds4

About 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine

6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine (PubChem CID 140902146) has the molecular formula C23H18FN7 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine
PubChem CID140902146
Molecular FormulaC23H18FN7
Molecular Weight411.44 g/mol
Exact Mass411.16
IUPAC Name6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine
SMILES[C-]#[N+]c1cnc2cc(CNc3ncnc(N4CCc5ncccc5C4)c3F)ccc2c1
InChIInChI=1S/C23H18FN7/c1-25-18-10-16-5-4-15(9-20(16)27-12-18)11-28-22-21(24)23(30-14-29-22)31-8-6-19-17(13-31)3-2-7-26-19/h2-5,7,9-10,12,14H,6,8,11,13H2,(H,28,29,30)
InChIKeyCHWXEWXFQYNFFX-UHFFFAOYSA-N
XLogP4.28
TPSA71.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Ngd-8243
CID 11247522
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
Baquiloprim
CID 9861430

Frequently Asked Questions

What is the IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine (CID 140902146) is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine is [C-]#[N+]c1cnc2cc(CNc3ncnc(N4CCc5ncccc5C4)c3F)ccc2c1.
What is the InChIKey of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine?
The InChIKey is CHWXEWXFQYNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7/c1-25-18-10-16-5-4-15(9-20(16)27-12-18)11-28-22-21(24)23(30-14-29-22)31-8-6-19-17(13-31)3-2-7-26-19/h2-5,7,9-10,12,14H,6,8,11,13H2,(H,28,29,30).
What are the key properties of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine?
6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine has a molecular weight of 411.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[(3-isocyanoquinolin-7-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 140902146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).