7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

C20H18N4O — CID 142445280

IUPAC7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
SMILESCOc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1
InChIInChI=1S/C20H18N4O/c1-25-20-22-10-12(11-23-20)19-14-5-3-2-4-13(14)18-15-8-9-21-16(15)6-7-17(18)24-19/h6-11,24H,2-5H2,1H3
InChIKeyZFJOXBJSISUJKL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.06
Rot. Bonds2

About 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (PubChem CID 142445280) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

Molecular Properties

Compound Name7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
PubChem CID142445280
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
SMILESCOc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1
InChIInChI=1S/C20H18N4O/c1-25-20-22-10-12(11-23-20)19-14-5-3-2-4-13(14)18-15-8-9-21-16(15)6-7-17(18)24-19/h6-11,24H,2-5H2,1H3
InChIKeyZFJOXBJSISUJKL-UHFFFAOYSA-N
XLogP4.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline
CID 142445719
4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
CID 142445291
7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 142445926
4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445189
3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
CID 142445399
4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
CID 174085117
7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163630203
7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921468
4-(9-ethyl-8-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-2-amine;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-1,3-diol;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzoic acid;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163992319
7-(2,2-difluoro-1,3-benzodioxol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-1,2,3-triol;4-(6,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]phenanthridin-5-yl)phenol;7-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 163766175
9-chloro-7-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921471
5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine
CID 141223084

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The IUPAC name of 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (CID 142445280) is 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.
What is the SMILES notation for 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The canonical SMILES for 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is COc1ncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.
What is the InChIKey of 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The InChIKey is ZFJOXBJSISUJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-20-22-10-12(11-23-20)19-14-5-3-2-4-13(14)18-15-8-9-21-16(15)6-7-17(18)24-19/h6-11,24H,2-5H2,1H3.
What are the key properties of 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine has a molecular weight of 330.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is sourced from PubChem (CID 142445280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).