N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride

C22H24ClN3O2 — CID 154904178

IUPACN-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
SMILESCOc1cccc2ccc(-c3ccc(C(=O)N[C@H]4CC[C@@H](N)C4)cc3)nc12.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-27-20-4-2-3-15-9-12-19(25-21(15)20)14-5-7-16(8-6-14)22(26)24-18-11-10-17(23)13-18;/h2-9,12,17-18H,10-11,13,23H2,1H3,(H,24,26);1H/t17-,18+;/m1./s1
InChIKeyNSOXYXHQKAPZFA-URBRKQAFSA-N
MW397.91 g/mol
LogP3.94
Rot. Bonds4

About N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride

N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride (PubChem CID 154904178) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
PubChem CID154904178
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
SMILESCOc1cccc2ccc(-c3ccc(C(=O)N[C@H]4CC[C@@H](N)C4)cc3)nc12.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-27-20-4-2-3-15-9-12-19(25-21(15)20)14-5-7-16(8-6-14)22(26)24-18-11-10-17(23)13-18;/h2-9,12,17-18H,10-11,13,23H2,1H3,(H,24,26);1H/t17-,18+;/m1./s1
InChIKeyNSOXYXHQKAPZFA-URBRKQAFSA-N
XLogP3.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride?
The IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride (CID 154904178) is N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride is COc1cccc2ccc(-c3ccc(C(=O)N[C@H]4CC[C@@H](N)C4)cc3)nc12.Cl.
What is the InChIKey of N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride?
The InChIKey is NSOXYXHQKAPZFA-URBRKQAFSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-27-20-4-2-3-15-9-12-19(25-21(15)20)14-5-7-16(8-6-14)22(26)24-18-11-10-17(23)13-18;/h2-9,12,17-18H,10-11,13,23H2,1H3,(H,24,26);1H/t17-,18+;/m1./s1.
What are the key properties of N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride?
N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 154904178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).