[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid

C19H23N3O3 — CID 69439513

IUPAC[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid
SMILESCOc1ccc2nc(N[C@H]3C[C@@H]4C[C@H]3[C@@H](NC(=O)O)C4)cc(C)c2c1
InChIInChI=1S/C19H23N3O3/c1-10-5-18(20-15-4-3-12(25-2)9-13(10)15)21-16-7-11-6-14(16)17(8-11)22-19(23)24/h3-5,9,11,14,16-17,22H,6-8H2,1-2H3,(H,20,21)(H,23,24)/t11-,14+,16-,17-/m0/s1
InChIKeyKRCOKSIDQNFEBJ-ISGYEWALSA-N
MW341.41 g/mol
LogP3.40
Rot. Bonds4

About [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid

[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid (PubChem CID 69439513) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid
PubChem CID69439513
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid
SMILESCOc1ccc2nc(N[C@H]3C[C@@H]4C[C@H]3[C@@H](NC(=O)O)C4)cc(C)c2c1
InChIInChI=1S/C19H23N3O3/c1-10-5-18(20-15-4-3-12(25-2)9-13(10)15)21-16-7-11-6-14(16)17(8-11)22-19(23)24/h3-5,9,11,14,16-17,22H,6-8H2,1-2H3,(H,20,21)(H,23,24)/t11-,14+,16-,17-/m0/s1
InChIKeyKRCOKSIDQNFEBJ-ISGYEWALSA-N
XLogP3.40
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
CID 86608909
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
1-N-(6-methoxy-4-methylquinolin-2-yl)-3-N-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 10068425
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
CID 2876854
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol
CID 54029297

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid?
The IUPAC name of [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid (CID 69439513) is [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid.
What is the SMILES notation for [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid?
The canonical SMILES for [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid is COc1ccc2nc(N[C@H]3C[C@@H]4C[C@H]3[C@@H](NC(=O)O)C4)cc(C)c2c1.
What is the InChIKey of [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid?
The InChIKey is KRCOKSIDQNFEBJ-ISGYEWALSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10-5-18(20-15-4-3-12(25-2)9-13(10)15)21-16-7-11-6-14(16)17(8-11)22-19(23)24/h3-5,9,11,14,16-17,22H,6-8H2,1-2H3,(H,20,21)(H,23,24)/t11-,14+,16-,17-/m0/s1.
What are the key properties of [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid?
[(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid has a molecular weight of 341.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6S)-6-[(6-methoxy-4-methylquinolin-2-yl)amino]-2-bicyclo[2.2.1]heptanyl]carbamic acid is sourced from PubChem (CID 69439513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).