6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

C23H24ClFN6O4 — CID 154974602

IUPAC6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3nc(C)nc(N4C(=O)OC5(CC5)C4[C@H](C)F)n3)cc2cc1Cl
InChIInChI=1S/C23H24ClFN6O4/c1-10(25)18-23(5-6-23)35-22(33)31(18)21-28-12(3)27-20(30-21)26-11(2)14-7-13-8-15(24)17(34-4)9-16(13)29-19(14)32/h7-11,18H,5-6H2,1-4H3,(H,29,32)(H,26,27,28,30)/t10-,11-,18?/m0/s1
InChIKeyFYFWANYONAVLEE-QMZNTLOPSA-N
MW502.93 g/mol
LogP4.07
Rot. Bonds6

About 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (PubChem CID 154974602) has the molecular formula C23H24ClFN6O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
PubChem CID154974602
Molecular FormulaC23H24ClFN6O4
Molecular Weight502.93 g/mol
Exact Mass502.15
IUPAC Name6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3nc(C)nc(N4C(=O)OC5(CC5)C4[C@H](C)F)n3)cc2cc1Cl
InChIInChI=1S/C23H24ClFN6O4/c1-10(25)18-23(5-6-23)35-22(33)31(18)21-28-12(3)27-20(30-21)26-11(2)14-7-13-8-15(24)17(34-4)9-16(13)29-19(14)32/h7-11,18H,5-6H2,1-4H3,(H,29,32)(H,26,27,28,30)/t10-,11-,18?/m0/s1
InChIKeyFYFWANYONAVLEE-QMZNTLOPSA-N
XLogP4.07
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 154975043
(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960658
(4S,5R)-3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 146896400
(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 153222214
(4S)-4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 150537306
4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960656
6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637599
CID 154597526
CID 154597526
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
6-chloro-7-methoxy-3-[(1S)-1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953545
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
CID 134364024

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The IUPAC name of 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (CID 154974602) is 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one is COc1cc2[nH]c(=O)c([C@H](C)Nc3nc(C)nc(N4C(=O)OC5(CC5)C4[C@H](C)F)n3)cc2cc1Cl.
What is the InChIKey of 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The InChIKey is FYFWANYONAVLEE-QMZNTLOPSA-N. The full InChI is InChI=1S/C23H24ClFN6O4/c1-10(25)18-23(5-6-23)35-22(33)31(18)21-28-12(3)27-20(30-21)26-11(2)14-7-13-8-15(24)17(34-4)9-16(13)29-19(14)32/h7-11,18H,5-6H2,1-4H3,(H,29,32)(H,26,27,28,30)/t10-,11-,18?/m0/s1.
What are the key properties of 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one has a molecular weight of 502.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 154974602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).