N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride

C19H24ClN3O2 — CID 119455175

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc2cc(C(=O)NC3CC4CCC(C3)N4)c(C)nc2c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-11-17(7-12-3-6-16(24-2)10-18(12)20-11)19(23)22-15-8-13-4-5-14(9-15)21-13;/h3,6-7,10,13-15,21H,4-5,8-9H2,1-2H3,(H,22,23);1H
InChIKeyCWWAQTAPRKCKCB-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.99
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride (PubChem CID 119455175) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride
PubChem CID119455175
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc2cc(C(=O)NC3CC4CCC(C3)N4)c(C)nc2c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-11-17(7-12-3-6-16(24-2)10-18(12)20-11)19(23)22-15-8-13-4-5-14(9-15)21-13;/h3,6-7,10,13-15,21H,4-5,8-9H2,1-2H3,(H,22,23);1H
InChIKeyCWWAQTAPRKCKCB-UHFFFAOYSA-N
XLogP2.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride (CID 119455175) is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride is COc1ccc2cc(C(=O)NC3CC4CCC(C3)N4)c(C)nc2c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride?
The InChIKey is CWWAQTAPRKCKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-11-17(7-12-3-6-16(24-2)10-18(12)20-11)19(23)22-15-8-13-4-5-14(9-15)21-13;/h3,6-7,10,13-15,21H,4-5,8-9H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119455175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).