(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine

C27H27NO — CID 134959439

IUPAC(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine
SMILESCC[C@H]1C2=C(c3ccccc3CC2)N(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C27H27NO/c1-3-22-24-10-6-7-11-26(24)28(18-19-12-15-21(29-2)16-13-19)27-23-9-5-4-8-20(23)14-17-25(22)27/h4-13,15-16,22H,3,14,17-18H2,1-2H3/t22-/m1/s1
InChIKeyCGOPSHRVFATUNE-JOCHJYFZSA-N
MW381.52 g/mol
LogP6.57
Rot. Bonds4

About (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine

(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine (PubChem CID 134959439) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine.

Molecular Properties

Compound Name(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine
PubChem CID134959439
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine
SMILESCC[C@H]1C2=C(c3ccccc3CC2)N(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C27H27NO/c1-3-22-24-10-6-7-11-26(24)28(18-19-12-15-21(29-2)16-13-19)27-23-9-5-4-8-20(23)14-17-25(22)27/h4-13,15-16,22H,3,14,17-18H2,1-2H3/t22-/m1/s1
InChIKeyCGOPSHRVFATUNE-JOCHJYFZSA-N
XLogP6.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3345025
2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
CID 150946226
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903
3-[2-azido-2-(4-tert-butylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 155758654
2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole-1-carbonitrile
CID 118491048
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
(1S)-2-[(4-methoxyphenyl)methyl]-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline
CID 102483415
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methoxyphenyl)ethanone
CID 744395
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787

Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine?
The IUPAC name of (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine (CID 134959439) is (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine.
What is the SMILES notation for (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine?
The canonical SMILES for (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine is CC[C@H]1C2=C(c3ccccc3CC2)N(Cc2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine?
The InChIKey is CGOPSHRVFATUNE-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-22-24-10-6-7-11-26(24)28(18-19-12-15-21(29-2)16-13-19)27-23-9-5-4-8-20(23)14-17-25(22)27/h4-13,15-16,22H,3,14,17-18H2,1-2H3/t22-/m1/s1.
What are the key properties of (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine?
(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine has a molecular weight of 381.52 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine is sourced from PubChem (CID 134959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).