7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one

C54H36Cl2N8O2 — CID 155170929

IUPAC7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one
SMILESCNc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Nc8ccccc8)cc(=O)[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]c1=O
InChIInChI=1S/C54H36Cl2N8O2/c1-29-39-26-45(57-2)54(66)64-52(39)63-51(47(29)35-20-32-15-10-18-58-49(32)43(56)24-35)33-14-9-13-31(19-33)37-22-36-21-34(23-42(55)50(36)59-28-37)40-25-41-44(60-38-16-7-4-8-17-38)27-46(65)61-53(41)62-48(40)30-11-5-3-6-12-30/h3-28,57H,1-2H3,(H,63,64,66)(H2,60,61,62,65)
InChIKeyUNQQQPMRBQVJRA-UHFFFAOYSA-N
MW899.84 g/mol
LogP12.99
Rot. Bonds8

About 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one

7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one (PubChem CID 155170929) has the molecular formula C54H36Cl2N8O2 and a molecular weight of 899.84 g/mol. Its IUPAC name is 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one
PubChem CID155170929
Molecular FormulaC54H36Cl2N8O2
Molecular Weight899.84 g/mol
Exact Mass898.23
IUPAC Name7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one
SMILESCNc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Nc8ccccc8)cc(=O)[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]c1=O
InChIInChI=1S/C54H36Cl2N8O2/c1-29-39-26-45(57-2)54(66)64-52(39)63-51(47(29)35-20-32-15-10-18-58-49(32)43(56)24-35)33-14-9-13-31(19-33)37-22-36-21-34(23-42(55)50(36)59-28-37)40-25-41-44(60-38-16-7-4-8-17-38)27-46(65)61-53(41)62-48(40)30-11-5-3-6-12-30/h3-28,57H,1-2H3,(H,63,64,66)(H2,60,61,62,65)
InChIKeyUNQQQPMRBQVJRA-UHFFFAOYSA-N
XLogP12.99
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.84
LogP ≤ 512.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

5-chloro-N-[4-(3-chloroquinolin-4-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]pyridine-2-carboxamide
CID 117902433
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604322
4-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(6-methylquinolin-5-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 117902971
US10023557, Example 101
CID 118665134
US10023557, Example 100
CID 118665316
US10981893, Example 24
CID 124173167
US10981893, Example 25
CID 124173179
US10981893, Example 21
CID 124173184
US10023557, Example 195
CID 124182091
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604400
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604465
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570

Frequently Asked Questions

What is the IUPAC name of 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one (CID 155170929) is 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one is CNc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Nc8ccccc8)cc(=O)[nH]c7nc6-c6ccccc6)cc5c4)c3)nc2[nH]c1=O.
What is the InChIKey of 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one?
The InChIKey is UNQQQPMRBQVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Cl2N8O2/c1-29-39-26-45(57-2)54(66)64-52(39)63-51(47(29)35-20-32-15-10-18-58-49(32)43(56)24-35)33-14-9-13-31(19-33)37-22-36-21-34(23-42(55)50(36)59-28-37)40-25-41-44(60-38-16-7-4-8-17-38)27-46(65)61-53(41)62-48(40)30-11-5-3-6-12-30/h3-28,57H,1-2H3,(H,63,64,66)(H2,60,61,62,65).
What are the key properties of 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one?
7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one has a molecular weight of 899.84 g/mol, XLogP of 12.99, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-(5-anilino-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)-8-chloroquinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-(methylamino)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).