4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide

C15H17N3O2 — CID 115485639

IUPAC4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCC(O)C2CC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-11-7-13(18-12-4-2-1-3-10(11)12)15(20)17-8-14(19)9-5-6-9/h1-4,7,9,14,19H,5-6,8H2,(H2,16,18)(H,17,20)
InChIKeyHKQXXEIWMYORDI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide (PubChem CID 115485639) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
PubChem CID115485639
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCC(O)C2CC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-11-7-13(18-12-4-2-1-3-10(11)12)15(20)17-8-14(19)9-5-6-9/h1-4,7,9,14,19H,5-6,8H2,(H2,16,18)(H,17,20)
InChIKeyHKQXXEIWMYORDI-UHFFFAOYSA-N
XLogP1.32
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-cyclopentyloxyquinoline-2-carboxamide
CID 83216868
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-piperidin-4-ylquinoline-2-carboxamide
CID 71141710
4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
CID 115752010
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide (CID 115485639) is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide is Nc1cc(C(=O)NCC(O)C2CC2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide?
The InChIKey is HKQXXEIWMYORDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-11-7-13(18-12-4-2-1-3-10(11)12)15(20)17-8-14(19)9-5-6-9/h1-4,7,9,14,19H,5-6,8H2,(H2,16,18)(H,17,20).
What are the key properties of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide?
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide is sourced from PubChem (CID 115485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).