(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone

C14H18N2O — CID 82474481

IUPAC(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
SMILESCc1cc(N)c2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C14H18N2O/c1-9-7-11-3-2-6-16(13(11)12(15)8-9)14(17)10-4-5-10/h7-8,10H,2-6,15H2,1H3
InChIKeyRXGBAGIXLJUXAI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.27
Rot. Bonds1

About (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone

(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone (PubChem CID 82474481) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
PubChem CID82474481
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
SMILESCc1cc(N)c2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C14H18N2O/c1-9-7-11-3-2-6-16(13(11)12(15)8-9)14(17)10-4-5-10/h7-8,10H,2-6,15H2,1H3
InChIKeyRXGBAGIXLJUXAI-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.27
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 (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The IUPAC name of (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone (CID 82474481) is (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone is Cc1cc(N)c2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
The InChIKey is RXGBAGIXLJUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-7-11-3-2-6-16(13(11)12(15)8-9)14(17)10-4-5-10/h7-8,10H,2-6,15H2,1H3.
What are the key properties of (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone?
(8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone has a molecular weight of 230.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 82474481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).