11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C29H19N5O — CID 122469501

IUPAC11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCCc1nc2cc(-c3nc4ccccc4c4nc5ccccc5n34)cc3c2n1-c1ccccc1O3
InChIInChI=1S/C29H19N5O/c1-2-26-30-21-15-17(16-25-27(21)33(26)23-13-7-8-14-24(23)35-25)28-31-19-10-4-3-9-18(19)29-32-20-11-5-6-12-22(20)34(28)29/h3-16H,2H2,1H3
InChIKeyRKIOPVWOABHSFL-UHFFFAOYSA-N
MW453.51 g/mol
LogP6.71
Rot. Bonds2

About 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122469501) has the molecular formula C29H19N5O and a molecular weight of 453.51 g/mol. Its IUPAC name is 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID122469501
Molecular FormulaC29H19N5O
Molecular Weight453.51 g/mol
Exact Mass453.16
IUPAC Name11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCCc1nc2cc(-c3nc4ccccc4c4nc5ccccc5n34)cc3c2n1-c1ccccc1O3
InChIInChI=1S/C29H19N5O/c1-2-26-30-21-15-17(16-25-27(21)33(26)23-13-7-8-14-24(23)35-25)28-31-19-10-4-3-9-18(19)29-32-20-11-5-6-12-22(20)34(28)29/h3-16H,2H2,1H3
InChIKeyRKIOPVWOABHSFL-UHFFFAOYSA-N
XLogP6.71
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

15-ethyl-11-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469489
15-ethyl-11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469500
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469254
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
5-carbazol-9-yl-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469284
15-ethyl-4-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469416
15-ethyl-5-(10-naphthalen-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469189
15-ethyl-4-[10-(3-phenylphenyl)anthracen-9-yl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469378
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(3,5-diphenylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 157051138
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469470

Frequently Asked Questions

What is the IUPAC name of 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122469501) is 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CCc1nc2cc(-c3nc4ccccc4c4nc5ccccc5n34)cc3c2n1-c1ccccc1O3.
What is the InChIKey of 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is RKIOPVWOABHSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5O/c1-2-26-30-21-15-17(16-25-27(21)33(26)23-13-7-8-14-24(23)35-25)28-31-19-10-4-3-9-18(19)29-32-20-11-5-6-12-22(20)34(28)29/h3-16H,2H2,1H3.
What are the key properties of 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 453.51 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(benzimidazolo[1,2-c]quinazolin-6-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).