8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide

C28H24Cl2N2O2 — CID 134502145

IUPAC8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C28H24Cl2N2O2/c1-16(2)26-22-8-5-7-20(17-12-18(29)14-19(30)13-17)27(22)31-15-23(26)28(33)32-24-10-11-34-25-9-4-3-6-21(24)25/h3-9,12-16,24H,10-11H2,1-2H3,(H,32,33)/t24-/m0/s1
InChIKeyDQRIGCPOWCVQDM-DEOSSOPVSA-N
MW491.42 g/mol
LogP7.59
Rot. Bonds4

About 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide (PubChem CID 134502145) has the molecular formula C28H24Cl2N2O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
PubChem CID134502145
Molecular FormulaC28H24Cl2N2O2
Molecular Weight491.42 g/mol
Exact Mass490.12
IUPAC Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C28H24Cl2N2O2/c1-16(2)26-22-8-5-7-20(17-12-18(29)14-19(30)13-17)27(22)31-15-23(26)28(33)32-24-10-11-34-25-9-4-3-6-21(24)25/h3-9,12-16,24H,10-11H2,1-2H3,(H,32,33)/t24-/m0/s1
InChIKeyDQRIGCPOWCVQDM-DEOSSOPVSA-N
XLogP7.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143
7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 171601083
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 168863146
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)-4-(methoxymethyl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134511483
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide (CID 134502145) is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12.
What is the InChIKey of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide?
The InChIKey is DQRIGCPOWCVQDM-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H24Cl2N2O2/c1-16(2)26-22-8-5-7-20(17-12-18(29)14-19(30)13-17)27(22)31-15-23(26)28(33)32-24-10-11-34-25-9-4-3-6-21(24)25/h3-9,12-16,24H,10-11H2,1-2H3,(H,32,33)/t24-/m0/s1.
What are the key properties of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide?
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide has a molecular weight of 491.42 g/mol, XLogP of 7.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 134502145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).