N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C28H24N4O — CID 59489633

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc2[nH]c(CNc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)cc2c1
InChIInChI=1S/C28H24N4O/c1-33-22-11-12-26-19(14-22)13-21(31-26)17-30-28-29-16-20-15-25(18-7-3-2-4-8-18)23-9-5-6-10-24(23)27(20)32-28/h2-14,16,25,31H,15,17H2,1H3,(H,29,30,32)
InChIKeyCMUPNTZKUIMAAP-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.93
Rot. Bonds5

About N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 59489633) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID59489633
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc2[nH]c(CNc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)cc2c1
InChIInChI=1S/C28H24N4O/c1-33-22-11-12-26-19(14-22)13-21(31-26)17-30-28-29-16-20-15-25(18-7-3-2-4-8-18)23-9-5-6-10-24(23)27(20)32-28/h2-14,16,25,31H,15,17H2,1H3,(H,29,30,32)
InChIKeyCMUPNTZKUIMAAP-UHFFFAOYSA-N
XLogP5.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 59489633) is N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1ccc2[nH]c(CNc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is CMUPNTZKUIMAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-33-22-11-12-26-19(14-22)13-21(31-26)17-30-28-29-16-20-15-25(18-7-3-2-4-8-18)23-9-5-6-10-24(23)27(20)32-28/h2-14,16,25,31H,15,17H2,1H3,(H,29,30,32).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 432.53 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 59489633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).