4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C24H27N5O — CID 167865214

IUPAC4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ncc2c(n1)CCC(NC(=O)N1CC=C(c3c(C)[nH]c4ccccc34)CC1)C2
InChIInChI=1S/C24H27N5O/c1-15-23(20-5-3-4-6-22(20)26-15)17-9-11-29(12-10-17)24(30)28-19-7-8-21-18(13-19)14-25-16(2)27-21/h3-6,9,14,19,26H,7-8,10-13H2,1-2H3,(H,28,30)
InChIKeyLCZCUIWGQRXKFA-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.93
Rot. Bonds2

About 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 167865214) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID167865214
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ncc2c(n1)CCC(NC(=O)N1CC=C(c3c(C)[nH]c4ccccc34)CC1)C2
InChIInChI=1S/C24H27N5O/c1-15-23(20-5-3-4-6-22(20)26-15)17-9-11-29(12-10-17)24(30)28-19-7-8-21-18(13-19)14-25-16(2)27-21/h3-6,9,14,19,26H,7-8,10-13H2,1-2H3,(H,28,30)
InChIKeyLCZCUIWGQRXKFA-UHFFFAOYSA-N
XLogP3.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 167865214) is 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1ncc2c(n1)CCC(NC(=O)N1CC=C(c3c(C)[nH]c4ccccc34)CC1)C2.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LCZCUIWGQRXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15-23(20-5-3-4-6-22(20)26-15)17-9-11-29(12-10-17)24(30)28-19-7-8-21-18(13-19)14-25-16(2)27-21/h3-6,9,14,19,26H,7-8,10-13H2,1-2H3,(H,28,30).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 167865214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).