acridine;isoquinoline;phenanthridine;quinoline

C44H32N4 — CID 159436284

IUPACacridine;isoquinoline;phenanthridine;quinoline
SMILESc1ccc2c(c1)cnc1ccccc12.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C13H9N.2C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1/h2*1-9H;2*1-7H
InChIKeyLRPQRFQMEGBURI-UHFFFAOYSA-N
MW616.77 g/mol
LogP11.25
Rot. Bonds

About acridine;isoquinoline;phenanthridine;quinoline

acridine;isoquinoline;phenanthridine;quinoline (PubChem CID 159436284) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is acridine;isoquinoline;phenanthridine;quinoline.

Molecular Properties

Compound Nameacridine;isoquinoline;phenanthridine;quinoline
PubChem CID159436284
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Nameacridine;isoquinoline;phenanthridine;quinoline
SMILESc1ccc2c(c1)cnc1ccccc12.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C13H9N.2C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1/h2*1-9H;2*1-7H
InChIKeyLRPQRFQMEGBURI-UHFFFAOYSA-N
XLogP11.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130
phenanthridine
CID 9189
benzo[k]phenanthridine;isoquinoline
CID 67914193
phenanthridine;platinum(2+)
CID 23616726
ethane;1,7-naphthyridine;quinoline
CID 145375138
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
hydron;quinoline
CID 131854096
quinoline;titanium;hydrate
CID 174714429
quinoline
CID 76974643
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
6-methylisoquinoline;5-methylquinoline
CID 154664232
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713

Frequently Asked Questions

What is the IUPAC name of acridine;isoquinoline;phenanthridine;quinoline?
The IUPAC name of acridine;isoquinoline;phenanthridine;quinoline (CID 159436284) is acridine;isoquinoline;phenanthridine;quinoline.
What is the SMILES notation for acridine;isoquinoline;phenanthridine;quinoline?
The canonical SMILES for acridine;isoquinoline;phenanthridine;quinoline is c1ccc2c(c1)cnc1ccccc12.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.
What is the InChIKey of acridine;isoquinoline;phenanthridine;quinoline?
The InChIKey is LRPQRFQMEGBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N.2C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1/h2*1-9H;2*1-7H.
What are the key properties of acridine;isoquinoline;phenanthridine;quinoline?
acridine;isoquinoline;phenanthridine;quinoline has a molecular weight of 616.77 g/mol, XLogP of 11.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;isoquinoline;phenanthridine;quinoline is sourced from PubChem (CID 159436284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).