1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline

C19H22ClN — CID 21498615

IUPAC1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H22ClN/c1-14-12-19(2,3)21(13-15-7-5-4-6-8-15)18-11-16(20)9-10-17(14)18/h4-11,14H,12-13H2,1-3H3
InChIKeyNOMTWZMSIUCDCX-UHFFFAOYSA-N
MW299.84 g/mol
LogP5.63
Rot. Bonds2

About 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline

1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline (PubChem CID 21498615) has the molecular formula C19H22ClN and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
PubChem CID21498615
Molecular FormulaC19H22ClN
Molecular Weight299.84 g/mol
Exact Mass299.14
IUPAC Name1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H22ClN/c1-14-12-19(2,3)21(13-15-7-5-4-6-8-15)18-11-16(20)9-10-17(14)18/h4-11,14H,12-13H2,1-3H3
InChIKeyNOMTWZMSIUCDCX-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.84
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline?
The IUPAC name of 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline (CID 21498615) is 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline.
What is the SMILES notation for 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline?
The canonical SMILES for 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline is CC1CC(C)(C)N(Cc2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline?
The InChIKey is NOMTWZMSIUCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14-12-19(2,3)21(13-15-7-5-4-6-8-15)18-11-16(20)9-10-17(14)18/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline?
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline has a molecular weight of 299.84 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline is sourced from PubChem (CID 21498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).