methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate

C20H19N5O2S — CID 123621011

IUPACmethyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCCc2ccc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C20H19N5O2S/c1-12-18(28-19(22-12)14-6-4-10-21-11-14)16-9-8-13-5-3-7-15(17(13)23-16)24-25-20(26)27-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,25,26)
InChIKeyLKFNFBLZTGGUDO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.97
Rot. Bonds3

About methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate

methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate (PubChem CID 123621011) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
PubChem CID123621011
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Namemethyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCCc2ccc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C20H19N5O2S/c1-12-18(28-19(22-12)14-6-4-10-21-11-14)16-9-8-13-5-3-7-15(17(13)23-16)24-25-20(26)27-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,25,26)
InChIKeyLKFNFBLZTGGUDO-UHFFFAOYSA-N
XLogP3.97
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
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
(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-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-(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-(3,4,4-trifluorobut-3-enoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081579
(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
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
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

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
The IUPAC name of 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) is methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate.
What is the SMILES notation for methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
The canonical SMILES for methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate is COC(=O)NN=C1CCCc2ccc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
The InChIKey is LKFNFBLZTGGUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-18(28-19(22-12)14-6-4-10-21-11-14)16-9-8-13-5-3-7-15(17(13)23-16)24-25-20(26)27-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,25,26).
What are the key properties of methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate has a molecular weight of 393.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate is sourced from PubChem (CID 123621011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).