3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one

C31H28ClN5O2 — CID 70934137

IUPAC3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2ccc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C31H28ClN5O2/c1-2-37-30-22(8-12-29(36-30)35-24-9-5-20(6-10-24)28-19-34-14-15-39-28)16-26(31(37)38)25-11-7-21(17-27(25)32)23-4-3-13-33-18-23/h3-13,16-18,28,34H,2,14-15,19H2,1H3,(H,35,36)
InChIKeyMRPUBSOIKHFMFI-UHFFFAOYSA-N
MW538.05 g/mol
LogP6.20
Rot. Bonds6

About 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one

3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one (PubChem CID 70934137) has the molecular formula C31H28ClN5O2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one
PubChem CID70934137
Molecular FormulaC31H28ClN5O2
Molecular Weight538.05 g/mol
Exact Mass537.19
IUPAC Name3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2ccc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C31H28ClN5O2/c1-2-37-30-22(8-12-29(36-30)35-24-9-5-20(6-10-24)28-19-34-14-15-39-28)16-26(31(37)38)25-11-7-21(17-27(25)32)23-4-3-13-33-18-23/h3-13,16-18,28,34H,2,14-15,19H2,1H3,(H,35,36)
InChIKeyMRPUBSOIKHFMFI-UHFFFAOYSA-N
XLogP6.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.05
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-Azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 169408423
US10023557, Example 296
CID 124183159
8-(4-Aminobutyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(2-methoxy-4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 177381199
6-(5-Cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934094
6-(4-Cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934105
6-(4-Methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934377
8-[2-(Dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 71249775
6-[5-Cyclopropyl-3-(trifluoromethyl)pyridin-2-yl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251077
6-[2-Chloro-4-(2-fluoro-3-pyridinyl)phenyl]-8-ethyl-2-[4-(2-morpholin-4-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89628359
6-[4-Chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 90213076
4-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.2]octan-1-yl)phenyl]benzamide;N-[4-(2-oxa-5-azabicyclo[2.2.2]octan-1-yl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 161812975
7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-N-pyridin-2-yl-1H-quinoline-6-carboxamide
CID 44359333

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one (CID 70934137) is 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one is CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2ccc(Nc3ccc(C4CNCCO4)cc3)nc21.
What is the InChIKey of 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one?
The InChIKey is MRPUBSOIKHFMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN5O2/c1-2-37-30-22(8-12-29(36-30)35-24-9-5-20(6-10-24)28-19-34-14-15-39-28)16-26(31(37)38)25-11-7-21(17-27(25)32)23-4-3-13-33-18-23/h3-13,16-18,28,34H,2,14-15,19H2,1H3,(H,35,36).
What are the key properties of 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one?
3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one has a molecular weight of 538.05 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one is sourced from PubChem (CID 70934137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).