N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide

C30H21N5O2 — CID 154657440

IUPACN-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C30H21N5O2/c36-25-17-24(30(37)32-18-19-8-3-1-4-9-19)33-29-28(25)34-27(26(35-29)20-10-5-2-6-11-20)22-13-14-23-21(16-22)12-7-15-31-23/h1-17H,18H2,(H,32,37)(H,33,35,36)
InChIKeyVFLNQJJCIJVILA-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.13
Rot. Bonds5

About N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide

N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide (PubChem CID 154657440) has the molecular formula C30H21N5O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide
PubChem CID154657440
Molecular FormulaC30H21N5O2
Molecular Weight483.53 g/mol
Exact Mass483.17
IUPAC NameN-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C30H21N5O2/c36-25-17-24(30(37)32-18-19-8-3-1-4-9-19)33-29-28(25)34-27(26(35-29)20-10-5-2-6-11-20)22-13-14-23-21(16-22)12-7-15-31-23/h1-17H,18H2,(H,32,37)(H,33,35,36)
InChIKeyVFLNQJJCIJVILA-UHFFFAOYSA-N
XLogP5.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 153147691
N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide
CID 155170901
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
7-(6-oxo-1H-pyridin-2-yl)-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656825
3-amino-N-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide (CID 154657440) is N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide is O=C(NCc1ccccc1)c1cc(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide?
The InChIKey is VFLNQJJCIJVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O2/c36-25-17-24(30(37)32-18-19-8-3-1-4-9-19)33-29-28(25)34-27(26(35-29)20-10-5-2-6-11-20)22-13-14-23-21(16-22)12-7-15-31-23/h1-17H,18H2,(H,32,37)(H,33,35,36).
What are the key properties of N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide?
N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 154657440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).