N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride

C15H19Cl2N3O — CID 75420130

IUPACN-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)c1cccc2ncccc12)C1CC1
InChIInChI=1S/C15H17N3O.2ClH/c16-13(10-6-7-10)9-18-15(19)12-3-1-5-14-11(12)4-2-8-17-14;;/h1-5,8,10,13H,6-7,9,16H2,(H,18,19);2*1H
InChIKeyFHDSFVOONCVHKH-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.55
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride

N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride (PubChem CID 75420130) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
PubChem CID75420130
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)c1cccc2ncccc12)C1CC1
InChIInChI=1S/C15H17N3O.2ClH/c16-13(10-6-7-10)9-18-15(19)12-3-1-5-14-11(12)4-2-8-17-14;;/h1-5,8,10,13H,6-7,9,16H2,(H,18,19);2*1H
InChIKeyFHDSFVOONCVHKH-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
CID 62696329
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
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CID 106737604
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
CID 111112184
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(2-amino-2-cyclopropylethyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148527

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride (CID 75420130) is N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride is Cl.Cl.NC(CNC(=O)c1cccc2ncccc12)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride?
The InChIKey is FHDSFVOONCVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c16-13(10-6-7-10)9-18-15(19)12-3-1-5-14-11(12)4-2-8-17-14;;/h1-5,8,10,13H,6-7,9,16H2,(H,18,19);2*1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride?
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 75420130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).