N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide

C17H20N2O3 — CID 71920415

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-19(8-9-22-11-12-6-7-12)17(21)16-13-4-2-3-5-14(13)18-10-15(16)20/h2-5,10,12,20H,6-9,11H2,1H3
InChIKeySFYNHXKNCGGKMI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide (PubChem CID 71920415) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide
PubChem CID71920415
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-19(8-9-22-11-12-6-7-12)17(21)16-13-4-2-3-5-14(13)18-10-15(16)20/h2-5,10,12,20H,6-9,11H2,1H3
InChIKeySFYNHXKNCGGKMI-UHFFFAOYSA-N
XLogP2.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide (CID 71920415) is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide is CN(CCOCC1CC1)C(=O)c1c(O)cnc2ccccc12.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The InChIKey is SFYNHXKNCGGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(8-9-22-11-12-6-7-12)17(21)16-13-4-2-3-5-14(13)18-10-15(16)20/h2-5,10,12,20H,6-9,11H2,1H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 71920415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).