4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline

C30H32N2 — CID 171450283

IUPAC4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
SMILESCC(C)Cc1ccc2c(c1)CCc1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2
InChIInChI=1S/C30H32N2/c1-19(2)14-20-10-12-25-22(15-20)11-13-26-28(31-18-32-29(25)26)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-10,12,15-19H,11,13-14H2,1-5H3
InChIKeyHAPMJXROPHIPPW-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.56
Rot. Bonds3

About 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline

4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline (PubChem CID 171450283) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
PubChem CID171450283
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
SMILESCC(C)Cc1ccc2c(c1)CCc1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2
InChIInChI=1S/C30H32N2/c1-19(2)14-20-10-12-25-22(15-20)11-13-26-28(31-18-32-29(25)26)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-10,12,15-19H,11,13-14H2,1-5H3
InChIKeyHAPMJXROPHIPPW-UHFFFAOYSA-N
XLogP7.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450274
12-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
CID 171581349
7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
CID 171450261
13-(4-tert-butylnaphthalen-2-yl)-6-(2-methylpropyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene
CID 171581324
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
CID 171450326
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
15-(4-tert-butylnaphthalen-2-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene
CID 171581251
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
CID 171581312
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine
CID 172528345

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline (CID 171450283) is 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline is CC(C)Cc1ccc2c(c1)CCc1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is HAPMJXROPHIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-19(2)14-20-10-12-25-22(15-20)11-13-26-28(31-18-32-29(25)26)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-10,12,15-19H,11,13-14H2,1-5H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline?
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 420.60 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 171450283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).