20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene

C34H22N4 — CID 146630877

IUPAC20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene
SMILESC1=CC2C3C(=c4c5ccccc5c(n42)=C1)N(c1nc(-c2ccccc2)nc2ccccc12)c1ccccc13
InChIInChI=1S/C34H22N4/c1-2-11-21(12-3-1)33-35-26-17-8-6-15-24(26)34(36-33)38-28-18-9-7-16-25(28)30-29-20-10-19-27-22-13-4-5-14-23(22)31(32(30)38)37(27)29/h1-20,29-30H
InChIKeyIUCXPRSIOOQLNR-UHFFFAOYSA-N
MW486.58 g/mol
LogP6.20
Rot. Bonds2

About 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene

20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene (PubChem CID 146630877) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene.

Molecular Properties

Compound Name20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene
PubChem CID146630877
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene
SMILESC1=CC2C3C(=c4c5ccccc5c(n42)=C1)N(c1nc(-c2ccccc2)nc2ccccc12)c1ccccc13
InChIInChI=1S/C34H22N4/c1-2-11-21(12-3-1)33-35-26-17-8-6-15-24(26)34(36-33)38-28-18-9-7-16-25(28)30-29-20-10-19-27-22-13-4-5-14-23(22)31(32(30)38)37(27)29/h1-20,29-30H
InChIKeyIUCXPRSIOOQLNR-UHFFFAOYSA-N
XLogP6.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,12b-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 134603800
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110916
14-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163474560
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
22-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 164962950
4-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 71454922
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
CID 163513367
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833

Frequently Asked Questions

What is the IUPAC name of 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene?
The IUPAC name of 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene (CID 146630877) is 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene.
What is the SMILES notation for 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene?
The canonical SMILES for 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene is C1=CC2C3C(=c4c5ccccc5c(n42)=C1)N(c1nc(-c2ccccc2)nc2ccccc12)c1ccccc13.
What is the InChIKey of 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene?
The InChIKey is IUCXPRSIOOQLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-11-21(12-3-1)33-35-26-17-8-6-15-24(26)34(36-33)38-28-18-9-7-16-25(28)30-29-20-10-19-27-22-13-4-5-14-23(22)31(32(30)38)37(27)29/h1-20,29-30H.
What are the key properties of 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene?
20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene has a molecular weight of 486.58 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(2-phenylquinazolin-4-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,14,16,18-nonaene is sourced from PubChem (CID 146630877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).