4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine

C22H20ClNO — CID 174930566

IUPAC4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine
SMILESCOc1ccc(CCN2Cc3ccccc3-c3cccc(Cl)c32)cc1
InChIInChI=1S/C22H20ClNO/c1-25-18-11-9-16(10-12-18)13-14-24-15-17-5-2-3-6-19(17)20-7-4-8-21(23)22(20)24/h2-12H,13-15H2,1H3
InChIKeyCBZCXWVKMASAIE-UHFFFAOYSA-N
MW349.86 g/mol
LogP5.58
Rot. Bonds4

About 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine

4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine (PubChem CID 174930566) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine.

Molecular Properties

Compound Name4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine
PubChem CID174930566
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC Name4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine
SMILESCOc1ccc(CCN2Cc3ccccc3-c3cccc(Cl)c32)cc1
InChIInChI=1S/C22H20ClNO/c1-25-18-11-9-16(10-12-18)13-14-24-15-17-5-2-3-6-19(17)20-7-4-8-21(23)22(20)24/h2-12H,13-15H2,1H3
InChIKeyCBZCXWVKMASAIE-UHFFFAOYSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 65444601
9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 151020003
5-bromo-6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one
CID 170050760
methyl 2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112799975
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 113184636
4-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 15993066
2-[3-(4-methoxyphenyl)propyl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110457305
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
CID 150946226
2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
CID 110457325
2-benzyl-5-(4-methoxyphenyl)-4-methylsulfanyl-1H-2-benzazepin-3-one
CID 169084166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine?
The IUPAC name of 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine (CID 174930566) is 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine.
What is the SMILES notation for 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine?
The canonical SMILES for 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine is COc1ccc(CCN2Cc3ccccc3-c3cccc(Cl)c32)cc1.
What is the InChIKey of 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine?
The InChIKey is CBZCXWVKMASAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c1-25-18-11-9-16(10-12-18)13-14-24-15-17-5-2-3-6-19(17)20-7-4-8-21(23)22(20)24/h2-12H,13-15H2,1H3.
What are the key properties of 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine?
4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine has a molecular weight of 349.86 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine is sourced from PubChem (CID 174930566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).