7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide

C18H21N3O2 — CID 129276627

IUPAC7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide
SMILESCC(CCNC=O)NC(=O)c1cnc2cc(C3CC3)ccc2c1
InChIInChI=1S/C18H21N3O2/c1-12(6-7-19-11-22)21-18(23)16-8-15-5-4-14(13-2-3-13)9-17(15)20-10-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,19,22)(H,21,23)
InChIKeyNRZFQWWSBMWBIP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.37
Rot. Bonds7

About 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide

7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide (PubChem CID 129276627) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide
PubChem CID129276627
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide
SMILESCC(CCNC=O)NC(=O)c1cnc2cc(C3CC3)ccc2c1
InChIInChI=1S/C18H21N3O2/c1-12(6-7-19-11-22)21-18(23)16-8-15-5-4-14(13-2-3-13)9-17(15)20-10-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,19,22)(H,21,23)
InChIKeyNRZFQWWSBMWBIP-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide?
The IUPAC name of 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide (CID 129276627) is 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide is CC(CCNC=O)NC(=O)c1cnc2cc(C3CC3)ccc2c1.
What is the InChIKey of 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide?
The InChIKey is NRZFQWWSBMWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(6-7-19-11-22)21-18(23)16-8-15-5-4-14(13-2-3-13)9-17(15)20-10-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide?
7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 129276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).