1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H25N2OP — CID 167025025

IUPAC1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILES[H]/N=C/C(=C\PC)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O
InChIInChI=1S/C19H25N2OP/c1-12-8-16-9-15(17(10-20)11-23-3)6-7-18(16)21(13(2)22)19(12)14-4-5-14/h6-7,9-12,14,19-20,23H,4-5,8H2,1-3H3/b17-11+,20-10+/t12?,19-/m1/s1
InChIKeyRBDKQHQUGWJNKC-XKJRCODZSA-N
MW328.40 g/mol
LogP4.31
Rot. Bonds4

About 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 167025025) has the molecular formula C19H25N2OP and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID167025025
Molecular FormulaC19H25N2OP
Molecular Weight328.40 g/mol
Exact Mass328.17
IUPAC Name1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILES[H]/N=C/C(=C\PC)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O
InChIInChI=1S/C19H25N2OP/c1-12-8-16-9-15(17(10-20)11-23-3)6-7-18(16)21(13(2)22)19(12)14-4-5-14/h6-7,9-12,14,19-20,23H,4-5,8H2,1-3H3/b17-11+,20-10+/t12?,19-/m1/s1
InChIKeyRBDKQHQUGWJNKC-XKJRCODZSA-N
XLogP4.31
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[(2R)-6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 174002492
1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 174002526
(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701590
(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701670
(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701598
1-[(2R,3R)-2-cyclopropyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325824
3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701690
(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
CID 144701519
ethane;(3E,5Z)-hepta-1,3,5-trien-3-amine;1-[(2S)-6-[(Z)-3-imino-1-[2-(methylamino)ethylphosphanyl]prop-1-en-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144547036
acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701399
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 167025025) is 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is [H]/N=C/C(=C\PC)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is RBDKQHQUGWJNKC-XKJRCODZSA-N. The full InChI is InChI=1S/C19H25N2OP/c1-12-8-16-9-15(17(10-20)11-23-3)6-7-18(16)21(13(2)22)19(12)14-4-5-14/h6-7,9-12,14,19-20,23H,4-5,8H2,1-3H3/b17-11+,20-10+/t12?,19-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 328.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 167025025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).