5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline

C52H34N6O2 — CID 141123039

IUPAC5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline
SMILESC1=CC(c2c(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)cc3nc(-c4cc5ccccc5nn4)nc(C4CCc5ccccc5O4)c23)Oc2ccccc21
InChIInChI=1S/C52H34N6O2/c1-6-16-36-31(11-1)27-28-53-50(36)47-37(40-24-21-32-12-2-7-17-38(32)54-40)30-41-48(49(47)45-25-22-33-13-4-9-19-43(33)59-45)51(46-26-23-34-14-5-10-20-44(34)60-46)56-52(55-41)42-29-35-15-3-8-18-39(35)57-58-42/h1-22,24-25,27-30,45-46H,23,26H2
InChIKeyGCRMOSGECHONBA-UHFFFAOYSA-N
MW774.88 g/mol
LogP11.88
Rot. Bonds5

About 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline

5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline (PubChem CID 141123039) has the molecular formula C52H34N6O2 and a molecular weight of 774.88 g/mol. Its IUPAC name is 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline.

Molecular Properties

Compound Name5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline
PubChem CID141123039
Molecular FormulaC52H34N6O2
Molecular Weight774.88 g/mol
Exact Mass774.27
IUPAC Name5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline
SMILESC1=CC(c2c(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)cc3nc(-c4cc5ccccc5nn4)nc(C4CCc5ccccc5O4)c23)Oc2ccccc21
InChIInChI=1S/C52H34N6O2/c1-6-16-36-31(11-1)27-28-53-50(36)47-37(40-24-21-32-12-2-7-17-38(32)54-40)30-41-48(49(47)45-25-22-33-13-4-9-19-43(33)59-45)51(46-26-23-34-14-5-10-20-44(34)60-46)56-52(55-41)42-29-35-15-3-8-18-39(35)57-58-42/h1-22,24-25,27-30,45-46H,23,26H2
InChIKeyGCRMOSGECHONBA-UHFFFAOYSA-N
XLogP11.88
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.88
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

1-[4-Fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-1-(6-methoxypyridazin-3-yl)ethanol
CID 135268456
[4-Fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
[4-Fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 167095306
[2-Ethyl-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 169893067
7-(6-fluoro-5-methyl-2-tritylindazol-4-yl)-8-[(1S)-1-phenylethoxy]quinazoline
CID 175945218
7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrakis[(1-methylpyridin-1-ium-3-yl)oxy]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
CID 122231339
6-(3,4-dihydro-2H-chromen-2-yl)-8-(3,4-dihydroquinolin-2-yl)-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-ylcinnoline
CID 53654478
1-[Methoxy-(4-methoxy-3-phenyl-2-pyrimidin-2-yl-5-quinolin-2-ylphenoxy)-phenylmethyl]isoquinoline
CID 53718430
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 90924400
2-[5-Methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline
CID 91104422
4-[(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methylquinoline
CID 117694100
6-[10-(1-Butyl-8-methoxyquinolin-1-ium-7-yl)-3-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-10-oxa-1-azoniatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene
CID 123339129

Frequently Asked Questions

What is the IUPAC name of 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline?
The IUPAC name of 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline (CID 141123039) is 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline.
What is the SMILES notation for 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline?
The canonical SMILES for 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline is C1=CC(c2c(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)cc3nc(-c4cc5ccccc5nn4)nc(C4CCc5ccccc5O4)c23)Oc2ccccc21.
What is the InChIKey of 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline?
The InChIKey is GCRMOSGECHONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6O2/c1-6-16-36-31(11-1)27-28-53-50(36)47-37(40-24-21-32-12-2-7-17-38(32)54-40)30-41-48(49(47)45-25-22-33-13-4-9-19-43(33)59-45)51(46-26-23-34-14-5-10-20-44(34)60-46)56-52(55-41)42-29-35-15-3-8-18-39(35)57-58-42/h1-22,24-25,27-30,45-46H,23,26H2.
What are the key properties of 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline?
5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline has a molecular weight of 774.88 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline is sourced from PubChem (CID 141123039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).