4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol

C20H19N3O — CID 142445718

IUPAC4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
SMILES[H]/N=C/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3
InChIInChI=1S/C20H19N3O/c21-11-13-7-10-17-15-3-1-2-4-16(15)19(23-20(17)18(13)22)12-5-8-14(24)9-6-12/h5-11,21,24H,1-4,22H2/b21-11+
InChIKeyAQKTYYFDWSLITE-SRZZPIQSSA-N
MW317.39 g/mol
LogP4.07
Rot. Bonds2

About 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol

4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol (PubChem CID 142445718) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
PubChem CID142445718
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
SMILES[H]/N=C/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3
InChIInChI=1S/C20H19N3O/c21-11-13-7-10-17-15-3-1-2-4-16(15)19(23-20(17)18(13)22)12-5-8-14(24)9-6-12/h5-11,21,24H,1-4,22H2/b21-11+
InChIKeyAQKTYYFDWSLITE-SRZZPIQSSA-N
XLogP4.07
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
CID 142445654
6-(3-amino-4-methanimidoylphenyl)-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-2-amine
CID 142445238
2-ethyl-N-[6-(4-hydroxyphenyl)-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-2-yl]pentanamide
CID 142445921
4-(2-amino-7,8,9,10-tetrahydrophenanthridin-6-yl)benzonitrile;ethanimine
CID 142445484
2-amino-6-(4-hydroxyphenyl)-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridine-8-carboxylic acid;ethane
CID 142445744
4-[2-amino-1-[2-(diethylamino)ethanimidoyl]-7,8,9,10-tetrahydrophenanthridin-6-yl]phenol
CID 142445544
6-(4-amino-3-methanimidoylphenyl)-1-methanimidoyl-4-(4-methylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridin-2-amine
CID 142445706
5-(2-amino-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)-1,3-benzothiazol-2-amine
CID 162488879
4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445290
2-methanimidoyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl]aniline
CID 142445263
4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)-2-fluorophenol
CID 170221387
ethane;methyl 3-(2-amino-1-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)-1H-pyrrole-2-carboxylate
CID 142445826

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The IUPAC name of 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol (CID 142445718) is 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol.
What is the SMILES notation for 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The canonical SMILES for 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol is [H]/N=C/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3.
What is the InChIKey of 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The InChIKey is AQKTYYFDWSLITE-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H19N3O/c21-11-13-7-10-17-15-3-1-2-4-16(15)19(23-20(17)18(13)22)12-5-8-14(24)9-6-12/h5-11,21,24H,1-4,22H2/b21-11+.
What are the key properties of 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol has a molecular weight of 317.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol is sourced from PubChem (CID 142445718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).