5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

C30H33ClN4O2 — CID 129173405

IUPAC5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCc1cc(C2=CC=C3C=C(Cl)CNC3C2)ccc1C1=NC2(CC2)C(=O)N1CC1CN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C30H33ClN4O2/c1-18-11-20(21-3-4-22-12-23(31)14-32-25(22)13-21)5-6-24(18)26-33-30(9-10-30)28(37)35(26)17-19-15-34(16-19)27(36)29(2)7-8-29/h3-6,11-12,19,25,32H,7-10,13-17H2,1-2H3
InChIKeyVVWANRLVLXYJHZ-UHFFFAOYSA-N
MW517.07 g/mol
LogP4.18
Rot. Bonds5

About 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 129173405) has the molecular formula C30H33ClN4O2 and a molecular weight of 517.07 g/mol. Its IUPAC name is 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
PubChem CID129173405
Molecular FormulaC30H33ClN4O2
Molecular Weight517.07 g/mol
Exact Mass516.23
IUPAC Name5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCc1cc(C2=CC=C3C=C(Cl)CNC3C2)ccc1C1=NC2(CC2)C(=O)N1CC1CN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C30H33ClN4O2/c1-18-11-20(21-3-4-22-12-23(31)14-32-25(22)13-21)5-6-24(18)26-33-30(9-10-30)28(37)35(26)17-19-15-34(16-19)27(36)29(2)7-8-29/h3-6,11-12,19,25,32H,7-10,13-17H2,1-2H3
InChIKeyVVWANRLVLXYJHZ-UHFFFAOYSA-N
XLogP4.18
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.07
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-(aminomethyl)-2-fluorophenyl]-2-methylcyclohexa-1,3-dien-1-yl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 129173406
6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 123941977
5-[4-(2,3-dihydro-1H-benzimidazol-5-yl)-2-fluorocyclohexa-1,3-dien-1-yl]-6-[[1-(1-hydroxycyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 129173214
5-[4-(6-chloronaphthalen-2-yl)-2-methylcyclohexa-1,3-dien-1-yl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173516
5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 144586703
2-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]-5,5-dimethyl-3-[[1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 118125397
6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 73388704
3-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-[2-methyl-4-(1-methylbenzimidazol-5-yl)phenyl]imidazol-4-one
CID 118125423
8-acetyl-2-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 90001656
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(2,3-dihydro-1H-indazol-5-yl)-2-fluorophenyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 129173121
5-[2-chloro-4-(1H-indazol-5-yl)cyclohex-3-en-1-yl]-6-[[1-(1-hydroxycyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 129173359
6-[2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]ethyl]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 118619963

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 129173405) is 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is Cc1cc(C2=CC=C3C=C(Cl)CNC3C2)ccc1C1=NC2(CC2)C(=O)N1CC1CN(C(=O)C2(C)CC2)C1.
What is the InChIKey of 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is VVWANRLVLXYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O2/c1-18-11-20(21-3-4-22-12-23(31)14-32-25(22)13-21)5-6-24(18)26-33-30(9-10-30)28(37)35(26)17-19-15-34(16-19)27(36)29(2)7-8-29/h3-6,11-12,19,25,32H,7-10,13-17H2,1-2H3.
What are the key properties of 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 517.07 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-1,2,8,8a-tetrahydroquinolin-7-yl)-2-methylphenyl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 129173405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).