trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid

C28H38N4O5 — CID 152656027

IUPACtrans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1c2ccc3c(nc(C(=O)N(C)C4CCCCC4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C
InChIInChI=1S/C28H38N4O5/c1-17-12-13-21-22(31(17)28(36)37-3)14-15-23-24(21)29-25(26(33)30(2)19-9-5-4-6-10-19)32(23)20-11-7-8-18(16-20)27(34)35/h14-15,17-20H,4-13,16H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1
InChIKeyZINWVLGYQHMMMM-NLWGTHIKSA-N
MW510.64 g/mol
LogP5.16
Rot. Bonds4

About trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid

trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 152656027) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID152656027
Molecular FormulaC28H38N4O5
Molecular Weight510.64 g/mol
Exact Mass510.28
IUPAC Nametrans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1c2ccc3c(nc(C(=O)N(C)C4CCCCC4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C
InChIInChI=1S/C28H38N4O5/c1-17-12-13-21-22(31(17)28(36)37-3)14-15-23-24(21)29-25(26(33)30(2)19-9-5-4-6-10-19)32(23)20-11-7-8-18(16-20)27(34)35/h14-15,17-20H,4-13,16H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1
InChIKeyZINWVLGYQHMMMM-NLWGTHIKSA-N
XLogP5.16
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid 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

CID 138478925
CID 138478925
CID 138478927
CID 138478927
CID 138479303
CID 138479303
CID 138479591
CID 138479591
CID 142546347
CID 142546347
CID 146685838
CID 146685838
CID 146704342
CID 146704342
CID 146732468
CID 146732468
CID 146913625
CID 146913625
CID 147335205
CID 147335205
CID 147398817
CID 147398817
CID 147412431
CID 147412431

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (CID 152656027) is trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is COC(=O)N1c2ccc3c(nc(C(=O)N(C)C4CCCCC4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C.
What is the InChIKey of trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is ZINWVLGYQHMMMM-NLWGTHIKSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-17-12-13-21-22(31(17)28(36)37-3)14-15-23-24(21)29-25(26(33)30(2)19-9-5-4-6-10-19)32(23)20-11-7-8-18(16-20)27(34)35/h14-15,17-20H,4-13,16H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1.
What are the key properties of trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?
trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 510.64 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(7S)-2-[cyclohexyl(methyl)carbamoyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 152656027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).