N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride

C16H18ClN3O — CID 154922206

IUPACN-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1C[C@H]2CC[C@@H]1N2)c1ccnc2ccccc12
InChIInChI=1S/C16H17N3O.ClH/c20-16(19-15-9-10-5-6-14(15)18-10)12-7-8-17-13-4-2-1-3-11(12)13;/h1-4,7-8,10,14-15,18H,5-6,9H2,(H,19,20);1H/t10-,14+,15+;/m1./s1
InChIKeyNQVWMHNECRXKDU-AJDHOEDFSA-N
MW303.79 g/mol
LogP2.28
Rot. Bonds2

About N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride

N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride (PubChem CID 154922206) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
PubChem CID154922206
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1C[C@H]2CC[C@@H]1N2)c1ccnc2ccccc12
InChIInChI=1S/C16H17N3O.ClH/c20-16(19-15-9-10-5-6-14(15)18-10)12-7-8-17-13-4-2-1-3-11(12)13;/h1-4,7-8,10,14-15,18H,5-6,9H2,(H,19,20);1H/t10-,14+,15+;/m1./s1
InChIKeyNQVWMHNECRXKDU-AJDHOEDFSA-N
XLogP2.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide
CID 70025848
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
CID 172895594
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride (CID 154922206) is N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride is Cl.O=C(N[C@H]1C[C@H]2CC[C@@H]1N2)c1ccnc2ccccc12.
What is the InChIKey of N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride?
The InChIKey is NQVWMHNECRXKDU-AJDHOEDFSA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c20-16(19-15-9-10-5-6-14(15)18-10)12-7-8-17-13-4-2-1-3-11(12)13;/h1-4,7-8,10,14-15,18H,5-6,9H2,(H,19,20);1H/t10-,14+,15+;/m1./s1.
What are the key properties of N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride?
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 154922206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).