(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone

C13H16N2O — CID 16642539

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
SMILESNc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
InChIKeyZNDAWHMDCROZJT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone (PubChem CID 16642539) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
PubChem CID16642539
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
SMILESNc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
InChIKeyZNDAWHMDCROZJT-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone (CID 16642539) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone is Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The InChIKey is ZNDAWHMDCROZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone has a molecular weight of 216.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 16642539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).