6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C28H24N8O2 — CID 118106202

IUPAC6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-n2cnnn2)c(-c2cc3n(c(=O)c2)[C@H](c2ncc(-c4ccc5c(c4)CCC(=O)N5)[nH]2)CC3)c1
InChIInChI=1S/C28H24N8O2/c1-16-2-7-24(35-15-30-33-34-35)21(10-16)19-12-20-5-8-25(36(20)27(38)13-19)28-29-14-23(32-28)18-3-6-22-17(11-18)4-9-26(37)31-22/h2-3,6-7,10-15,25H,4-5,8-9H2,1H3,(H,29,32)(H,31,37)/t25-/m0/s1
InChIKeyDRRHIONMXMAIAY-VWLOTQADSA-N
MW504.55 g/mol
LogP3.61
Rot. Bonds4

About 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118106202) has the molecular formula C28H24N8O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118106202
Molecular FormulaC28H24N8O2
Molecular Weight504.55 g/mol
Exact Mass504.20
IUPAC Name6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-n2cnnn2)c(-c2cc3n(c(=O)c2)[C@H](c2ncc(-c4ccc5c(c4)CCC(=O)N5)[nH]2)CC3)c1
InChIInChI=1S/C28H24N8O2/c1-16-2-7-24(35-15-30-33-34-35)21(10-16)19-12-20-5-8-25(36(20)27(38)13-19)28-29-14-23(32-28)18-3-6-22-17(11-18)4-9-26(37)31-22/h2-3,6-7,10-15,25H,4-5,8-9H2,1H3,(H,29,32)(H,31,37)/t25-/m0/s1
InChIKeyDRRHIONMXMAIAY-VWLOTQADSA-N
XLogP3.61
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(1S)-1-[5-chloro-4-(2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[5-methyl-2-(tetrazol-1-yl)phenyl]propanamide
CID 57976349
(E)-N-[(1S)-1-[5-chloro-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 66939035
(4S)-1-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one
CID 137516341
US10214512, Example 142
CID 139268825
US20230295157, Example 311
CID 162684134
US20230295157, Example 81
CID 162684153
US20230295157, Example 314
CID 169058528
US20230295157, Example 280
CID 169058607
US20230295157, Example 281
CID 169058638
US20230295157, Example 101
CID 169428980
US20230295157, Example 152
CID 169428989
US20230295157, Example 270
CID 169428998

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 118106202) is 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(-n2cnnn2)c(-c2cc3n(c(=O)c2)[C@H](c2ncc(-c4ccc5c(c4)CCC(=O)N5)[nH]2)CC3)c1.
What is the InChIKey of 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DRRHIONMXMAIAY-VWLOTQADSA-N. The full InChI is InChI=1S/C28H24N8O2/c1-16-2-7-24(35-15-30-33-34-35)21(10-16)19-12-20-5-8-25(36(20)27(38)13-19)28-29-14-23(32-28)18-3-6-22-17(11-18)4-9-26(37)31-22/h2-3,6-7,10-15,25H,4-5,8-9H2,1H3,(H,29,32)(H,31,37)/t25-/m0/s1.
What are the key properties of 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 504.55 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3S)-7-[5-methyl-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118106202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).