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

C19H17N5O2S — CID 123865812

IUPACmethyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C19H17N5O2S/c1-26-19(25)24-23-15-6-2-4-12-7-8-14(22-17(12)15)16-11-21-18(27-16)13-5-3-9-20-10-13/h3,5,7-11H,2,4,6H2,1H3,(H,24,25)
InChIKeyLWIGTHMGFLBBLB-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.66
Rot. Bonds3

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

methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate (PubChem CID 123865812) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
PubChem CID123865812
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Namemethyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C19H17N5O2S/c1-26-19(25)24-23-15-6-2-4-12-7-8-14(22-17(12)15)16-11-21-18(27-16)13-5-3-9-20-10-13/h3,5,7-11H,2,4,6H2,1H3,(H,24,25)
InChIKeyLWIGTHMGFLBBLB-UHFFFAOYSA-N
XLogP3.66
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.66
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-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
CID 136949820
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-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 148793923
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-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 118081704
2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide
CID 172972455
(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
(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
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

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-(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-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate (CID 123865812) is methyl N-[[2-(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-(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-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate is COC(=O)NN=C1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
The InChIKey is LWIGTHMGFLBBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-26-19(25)24-23-15-6-2-4-12-7-8-14(22-17(12)15)16-11-21-18(27-16)13-5-3-9-20-10-13/h3,5,7-11H,2,4,6H2,1H3,(H,24,25).
What are the key properties of methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate?
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate has a molecular weight of 379.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate is sourced from PubChem (CID 123865812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).