11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one

C29H18N4O — CID 142565512

IUPAC11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c2c2ccccc12
InChIInChI=1S/C29H18N4O/c34-28-20-13-5-4-12-19(20)27-26(31-28)22-15-7-9-17-24(22)33(27)29-30-23-16-8-6-14-21(23)25(32-29)18-10-2-1-3-11-18/h1-17H,(H,31,34)
InChIKeySEPAEHDWYZJOLO-UHFFFAOYSA-N
MW438.49 g/mol
LogP6.24
Rot. Bonds2

About 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one

11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one (PubChem CID 142565512) has the molecular formula C29H18N4O and a molecular weight of 438.49 g/mol. Its IUPAC name is 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one
PubChem CID142565512
Molecular FormulaC29H18N4O
Molecular Weight438.49 g/mol
Exact Mass438.15
IUPAC Name11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c2c2ccccc12
InChIInChI=1S/C29H18N4O/c34-28-20-13-5-4-12-19(20)27-26(31-28)22-15-7-9-17-24(22)33(27)29-30-23-16-8-6-14-21(23)25(32-29)18-10-2-1-3-11-18/h1-17H,(H,31,34)
InChIKeySEPAEHDWYZJOLO-UHFFFAOYSA-N
XLogP6.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954
11,20-diphenyl-3-(4-phenylquinazolin-2-yl)-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786355
12-phenyl-9,20-bis(4-phenylquinazolin-2-yl)-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-11-one
CID 164786371
9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369954
3-phenyl-16-(4-phenylquinazolin-2-yl)-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 122465729
5-(4-phenylquinazolin-2-yl)-1,5-diazaoctacyclo[17.10.1.02,18.03,15.04,12.06,11.023,30.024,29]triaconta-2(18),3(15),4(12),6,8,10,13,16,19,21,23(30),24,26,28-tetradecaene
CID 142290372
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
15-(4-phenylquinazolin-2-yl)-10,15-diazahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,12,16,18,20,22,24-undecaen-11-one
CID 156706427
16,19-diphenyl-10-(4-phenylquinazolin-2-yl)-10,16,19-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.020,25]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),20,22,24,27-dodecaen-15-one
CID 168933303
24-[4-(4-phenylphenyl)quinazolin-2-yl]-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432163
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-24-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165025974

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one?
The IUPAC name of 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one (CID 142565512) is 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one?
The canonical SMILES for 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one is O=c1[nH]c2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c2c2ccccc12.
What is the InChIKey of 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one?
The InChIKey is SEPAEHDWYZJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4O/c34-28-20-13-5-4-12-19(20)27-26(31-28)22-15-7-9-17-24(22)33(27)29-30-23-16-8-6-14-21(23)25(32-29)18-10-2-1-3-11-18/h1-17H,(H,31,34).
What are the key properties of 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one?
11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one has a molecular weight of 438.49 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenylquinazolin-2-yl)-6H-indolo[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 142565512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).