N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine

C24H26N4O3S — CID 123903666

IUPACN-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCC1OC(C)C(C)O1)CCC2
InChIInChI=1S/C24H26N4O3S/c1-14-23(32-24(26-14)18-7-5-11-25-12-18)20-10-9-17-6-4-8-19(22(17)27-20)28-29-13-21-30-15(2)16(3)31-21/h5,7,9-12,15-16,21H,4,6,8,13H2,1-3H3
InChIKeyHTTRZJDMOUHGGI-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.78
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine

N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123903666) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123903666
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCC1OC(C)C(C)O1)CCC2
InChIInChI=1S/C24H26N4O3S/c1-14-23(32-24(26-14)18-7-5-11-25-12-18)20-10-9-17-6-4-8-19(22(17)27-20)28-29-13-21-30-15(2)16(3)31-21/h5,7,9-12,15-16,21H,4,6,8,13H2,1-3H3
InChIKeyHTTRZJDMOUHGGI-UHFFFAOYSA-N
XLogP4.78
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine with MolForge

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Related Compounds

N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123360423
(E)-N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 118081603
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(3,3,3-trifluoropropoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081574
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(3,4,4-trifluorobut-3-enoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081579
(E)-N-(3-methylpentan-2-yloxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 118081599
N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123147149
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline
CID 123932684
N-[(E)-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]pyridin-2-amine
CID 118081833
N-methyl-N-[(E)-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]methanesulfonamide
CID 118081817
N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
CID 123154926

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine (CID 123903666) is N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine is Cc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCC1OC(C)C(C)O1)CCC2.
What is the InChIKey of N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is HTTRZJDMOUHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-14-23(32-24(26-14)18-7-5-11-25-12-18)20-10-9-17-6-4-8-19(22(17)27-20)28-29-13-21-30-15(2)16(3)31-21/h5,7,9-12,15-16,21H,4,6,8,13H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 450.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123903666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).