1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea

C18H19FN4O2S — CID 97445018

IUPAC1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
SMILESCc1nc2c(s1)CCC[C@@H]2NC(=O)Nc1cc(F)cc2c1NC(=O)CC2
InChIInChI=1S/C18H19FN4O2S/c1-9-20-17-12(3-2-4-14(17)26-9)21-18(25)22-13-8-11(19)7-10-5-6-15(24)23-16(10)13/h7-8,12H,2-6H2,1H3,(H,23,24)(H2,21,22,25)/t12-/m0/s1
InChIKeyDSKOJWJGAVMDJL-LBPRGKRZSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds2

About 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea

1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea (PubChem CID 97445018) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea.

Molecular Properties

Compound Name1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
PubChem CID97445018
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
SMILESCc1nc2c(s1)CCC[C@@H]2NC(=O)Nc1cc(F)cc2c1NC(=O)CC2
InChIInChI=1S/C18H19FN4O2S/c1-9-20-17-12(3-2-4-14(17)26-9)21-18(25)22-13-8-11(19)7-10-5-6-15(24)23-16(10)13/h7-8,12H,2-6H2,1H3,(H,23,24)(H2,21,22,25)/t12-/m0/s1
InChIKeyDSKOJWJGAVMDJL-LBPRGKRZSA-N
XLogP3.67
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea with MolForge

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Related Compounds

1-(6-fluoro-2-methyl-3-pyridinyl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
CID 146095750
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)urea
CID 72879885
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)urea
CID 72842438
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
CID 91838021
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
CID 146089566
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72839739
1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)urea
CID 155248841
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 72872019
3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 97445666
N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97145683
(3aR,6aS)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
CID 154900986
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162635032

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The IUPAC name of 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea (CID 97445018) is 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea.
What is the SMILES notation for 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The canonical SMILES for 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea is Cc1nc2c(s1)CCC[C@@H]2NC(=O)Nc1cc(F)cc2c1NC(=O)CC2.
What is the InChIKey of 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The InChIKey is DSKOJWJGAVMDJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-9-20-17-12(3-2-4-14(17)26-9)21-18(25)22-13-8-11(19)7-10-5-6-15(24)23-16(10)13/h7-8,12H,2-6H2,1H3,(H,23,24)(H2,21,22,25)/t12-/m0/s1.
What are the key properties of 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea has a molecular weight of 374.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea is sourced from PubChem (CID 97445018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).