3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C29H28N6O — CID 137437996

IUPAC3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(CNc2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1
InChIInChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-32-26-18-31-29-24(28(26)36)17-23(27(33-29)20-6-3-2-4-7-20)21-9-10-25-22(16-21)8-5-11-30-25/h2-11,16-18,32H,12-15,19H2,1H3,(H,31,33,36)
InChIKeyBSCJSAXYLAMOSF-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.42
Rot. Bonds5

About 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137437996) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137437996
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC Name3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(CNc2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1
InChIInChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-32-26-18-31-29-24(28(26)36)17-23(27(33-29)20-6-3-2-4-7-20)21-9-10-25-22(16-21)8-5-11-30-25/h2-11,16-18,32H,12-15,19H2,1H3,(H,31,33,36)
InChIKeyBSCJSAXYLAMOSF-UHFFFAOYSA-N
XLogP4.42
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137437996) is 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is CN1CCN(CNc2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is BSCJSAXYLAMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-32-26-18-31-29-24(28(26)36)17-23(27(33-29)20-6-3-2-4-7-20)21-9-10-25-22(16-21)8-5-11-30-25/h2-11,16-18,32H,12-15,19H2,1H3,(H,31,33,36).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 476.58 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137437996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).