8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide

C19H14BrClN2O2 — CID 134498034

IUPAC8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl
InChIInChI=1S/C19H14BrClN2O2/c20-14-6-3-5-12-17(21)13(10-22-18(12)14)19(24)23-15-8-9-25-16-7-2-1-4-11(15)16/h1-7,10,15H,8-9H2,(H,23,24)/t15-/m0/s1
InChIKeyBCTADWLIMIJVIC-HNNXBMFYSA-N
MW417.69 g/mol
LogP4.90
Rot. Bonds2

About 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide

8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide (PubChem CID 134498034) has the molecular formula C19H14BrClN2O2 and a molecular weight of 417.69 g/mol. Its IUPAC name is 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
PubChem CID134498034
Molecular FormulaC19H14BrClN2O2
Molecular Weight417.69 g/mol
Exact Mass415.99
IUPAC Name8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl
InChIInChI=1S/C19H14BrClN2O2/c20-14-6-3-5-12-17(21)13(10-22-18(12)14)19(24)23-15-8-9-25-16-7-2-1-4-11(15)16/h1-7,10,15H,8-9H2,(H,23,24)/t15-/m0/s1
InChIKeyBCTADWLIMIJVIC-HNNXBMFYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.69
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
CID 146252297
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
CID 150542677
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
CID 47048118

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide?
The IUPAC name of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide (CID 134498034) is 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide?
The InChIKey is BCTADWLIMIJVIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14BrClN2O2/c20-14-6-3-5-12-17(21)13(10-22-18(12)14)19(24)23-15-8-9-25-16-7-2-1-4-11(15)16/h1-7,10,15H,8-9H2,(H,23,24)/t15-/m0/s1.
What are the key properties of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide?
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide has a molecular weight of 417.69 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 134498034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).