1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H32N4O2 — CID 139398478

IUPAC1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILES[H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CC(C2CC2)Cc2ccccc21
InChIInChI=1S/C24H32N4O2/c1-16(29)27-10-8-22(26-20-9-11-30-15-20)21(14-27)24(25)28-13-19(17-6-7-17)12-18-4-2-3-5-23(18)28/h2-5,17,19-20,25-26H,6-15H2,1H3/b25-24+
InChIKeyJUCWLAJWRUQNRM-OCOZRVBESA-N
MW408.55 g/mol
LogP2.94
Rot. Bonds4

About 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 139398478) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID139398478
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILES[H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CC(C2CC2)Cc2ccccc21
InChIInChI=1S/C24H32N4O2/c1-16(29)27-10-8-22(26-20-9-11-30-15-20)21(14-27)24(25)28-13-19(17-6-7-17)12-18-4-2-3-5-23(18)28/h2-5,17,19-20,25-26H,6-15H2,1H3/b25-24+
InChIKeyJUCWLAJWRUQNRM-OCOZRVBESA-N
XLogP2.94
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 139398468
1-[5-[(3S)-3-(2,2-difluoroethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-[[(3S)-oxolan-3-yl]amino]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398716
1-[5-(6-amino-7-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 177976228
1-[5-(6-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(propan-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 178985464
1-[5-(7-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145105815
1-[5-[7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 177968221
1-[5-(7-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 177975357
5-[1-[1-acetyl-4-(oxetan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-1H-pyridin-2-one
CID 139398214
1-[5-[6-(2,5-dimethyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxetan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398220
5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide
CID 139398296
1-[5-(3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxetan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398499
1-[5-[6-(2-cyclopropyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxetan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398511

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 139398478) is 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone is [H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CC(C2CC2)Cc2ccccc21.
What is the InChIKey of 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is JUCWLAJWRUQNRM-OCOZRVBESA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16(29)27-10-8-22(26-20-9-11-30-15-20)21(14-27)24(25)28-13-19(17-6-7-17)12-18-4-2-3-5-23(18)28/h2-5,17,19-20,25-26H,6-15H2,1H3/b25-24+.
What are the key properties of 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 408.55 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 139398478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).