N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C24H24N4O — CID 72721010

IUPACN-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
InChIKeyOXGXATQSXZRKSZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.92
Rot. Bonds5

About N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 72721010) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID72721010
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
InChIKeyOXGXATQSXZRKSZ-UHFFFAOYSA-N
XLogP4.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 72721010) is N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is COc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2.
What is the InChIKey of N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OXGXATQSXZRKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 384.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxyindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 72721010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).