6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

C52H37Cl2N7O2S — CID 155170934

IUPAC6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCNCc1c(-c2cc(Cl)c3ncc(-c4cccc(-c5nc6[nH]c(=O)c(CSC7CC7)cc6cc5-c5cc(Cl)c6ncccc6c5)c4)cc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C52H37Cl2N7O2S/c1-55-26-41-39-14-15-44(62)58-51(39)60-49(28-7-3-2-4-8-28)45(41)33-19-34-20-36(25-57-48(34)43(54)24-33)29-9-5-10-30(17-29)46-40(32-18-31-11-6-16-56-47(31)42(53)23-32)22-35-21-37(27-64-38-12-13-38)52(63)61-50(35)59-46/h2-11,14-25,38,55H,12-13,26-27H2,1H3,(H,58,60,62)(H,59,61,63)
InChIKeyRTCLGBIPOZYICF-UHFFFAOYSA-N
MW894.89 g/mol
LogP12.01
Rot. Bonds10

About 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 155170934) has the molecular formula C52H37Cl2N7O2S and a molecular weight of 894.89 g/mol. Its IUPAC name is 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID155170934
Molecular FormulaC52H37Cl2N7O2S
Molecular Weight894.89 g/mol
Exact Mass893.21
IUPAC Name6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCNCc1c(-c2cc(Cl)c3ncc(-c4cccc(-c5nc6[nH]c(=O)c(CSC7CC7)cc6cc5-c5cc(Cl)c6ncccc6c5)c4)cc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C52H37Cl2N7O2S/c1-55-26-41-39-14-15-44(62)58-51(39)60-49(28-7-3-2-4-8-28)45(41)33-19-34-20-36(25-57-48(34)43(54)24-33)29-9-5-10-30(17-29)46-40(32-18-31-11-6-16-56-47(31)42(53)23-32)22-35-21-37(27-64-38-12-13-38)52(63)61-50(35)59-46/h2-11,14-25,38,55H,12-13,26-27H2,1H3,(H,58,60,62)(H,59,61,63)
InChIKeyRTCLGBIPOZYICF-UHFFFAOYSA-N
XLogP12.01
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.89
LogP ≤ 512.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (CID 155170934) is 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is CNCc1c(-c2cc(Cl)c3ncc(-c4cccc(-c5nc6[nH]c(=O)c(CSC7CC7)cc6cc5-c5cc(Cl)c6ncccc6c5)c4)cc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12.
What is the InChIKey of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is RTCLGBIPOZYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37Cl2N7O2S/c1-55-26-41-39-14-15-44(62)58-51(39)60-49(28-7-3-2-4-8-28)45(41)33-19-34-20-36(25-57-48(34)43(54)24-33)29-9-5-10-30(17-29)46-40(32-18-31-11-6-16-56-47(31)42(53)23-32)22-35-21-37(27-64-38-12-13-38)52(63)61-50(35)59-46/h2-11,14-25,38,55H,12-13,26-27H2,1H3,(H,58,60,62)(H,59,61,63).
What are the key properties of 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 894.89 g/mol, XLogP of 12.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-(cyclopropylsulfanylmethyl)-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).