[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid

C30H29N5O4 — CID 156535535

IUPAC[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid
SMILESNC(=O)c1cnc2ccc(-c3ccc(C(=O)NC4CCC(NC(=O)O)CC4)cc3)cc2c1Nc1ccccc1
InChIInChI=1S/C30H29N5O4/c31-28(36)25-17-32-26-15-10-20(16-24(26)27(25)33-21-4-2-1-3-5-21)18-6-8-19(9-7-18)29(37)34-22-11-13-23(14-12-22)35-30(38)39/h1-10,15-17,22-23,35H,11-14H2,(H2,31,36)(H,32,33)(H,34,37)(H,38,39)
InChIKeyRBAPRYANPDIZDJ-UHFFFAOYSA-N
MW523.59 g/mol
LogP5.05
Rot. Bonds7

About [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid

[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid (PubChem CID 156535535) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid
PubChem CID156535535
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC Name[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid
SMILESNC(=O)c1cnc2ccc(-c3ccc(C(=O)NC4CCC(NC(=O)O)CC4)cc3)cc2c1Nc1ccccc1
InChIInChI=1S/C30H29N5O4/c31-28(36)25-17-32-26-15-10-20(16-24(26)27(25)33-21-4-2-1-3-5-21)18-6-8-19(9-7-18)29(37)34-22-11-13-23(14-12-22)35-30(38)39/h1-10,15-17,22-23,35H,11-14H2,(H2,31,36)(H,32,33)(H,34,37)(H,38,39)
InChIKeyRBAPRYANPDIZDJ-UHFFFAOYSA-N
XLogP5.05
TPSA146.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid (CID 156535535) is [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid is NC(=O)c1cnc2ccc(-c3ccc(C(=O)NC4CCC(NC(=O)O)CC4)cc3)cc2c1Nc1ccccc1.
What is the InChIKey of [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid?
The InChIKey is RBAPRYANPDIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4/c31-28(36)25-17-32-26-15-10-20(16-24(26)27(25)33-21-4-2-1-3-5-21)18-6-8-19(9-7-18)29(37)34-22-11-13-23(14-12-22)35-30(38)39/h1-10,15-17,22-23,35H,11-14H2,(H2,31,36)(H,32,33)(H,34,37)(H,38,39).
What are the key properties of [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid?
[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid has a molecular weight of 523.59 g/mol, XLogP of 5.05, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 156535535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).