1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C16H20N2O3 — CID 78884754

IUPAC1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2C(=O)COCC1CC1
InChIInChI=1S/C16H20N2O3/c17-16(20)13-3-1-5-14-12(13)4-2-8-18(14)15(19)10-21-9-11-6-7-11/h1,3,5,11H,2,4,6-10H2,(H2,17,20)
InChIKeyBBQOHTUUKQSCRJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 78884754) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID78884754
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2C(=O)COCC1CC1
InChIInChI=1S/C16H20N2O3/c17-16(20)13-3-1-5-14-12(13)4-2-8-18(14)15(19)10-21-9-11-6-7-11/h1,3,5,11H,2,4,6-10H2,(H2,17,20)
InChIKeyBBQOHTUUKQSCRJ-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 78884754) is 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2C(=O)COCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is BBQOHTUUKQSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-16(20)13-3-1-5-14-12(13)4-2-8-18(14)15(19)10-21-9-11-6-7-11/h1,3,5,11H,2,4,6-10H2,(H2,17,20).
What are the key properties of 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 78884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).