6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C24H21FN4 — CID 42644800

IUPAC6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESFc1ccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H21FN4/c25-20-7-5-17(6-8-20)15-29-12-10-22-19(16-29)9-11-26-24(22)28-21-13-18-3-1-2-4-23(18)27-14-21/h1-9,11,13-14H,10,12,15-16H2,(H,26,28)
InChIKeyDDHYJNUNCZVHOU-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.07
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42644800) has the molecular formula C24H21FN4 and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42644800
Molecular FormulaC24H21FN4
Molecular Weight384.46 g/mol
Exact Mass384.18
IUPAC Name6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESFc1ccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H21FN4/c25-20-7-5-17(6-8-20)15-29-12-10-22-19(16-29)9-11-26-24(22)28-21-13-18-3-1-2-4-23(18)27-14-21/h1-9,11,13-14H,10,12,15-16H2,(H,26,28)
InChIKeyDDHYJNUNCZVHOU-UHFFFAOYSA-N
XLogP5.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42644800) is 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is Fc1ccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is DDHYJNUNCZVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4/c25-20-7-5-17(6-8-20)15-29-12-10-22-19(16-29)9-11-26-24(22)28-21-13-18-3-1-2-4-23(18)27-14-21/h1-9,11,13-14H,10,12,15-16H2,(H,26,28).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 384.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42644800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).