N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C23H22N4OS — CID 166395927

IUPACN-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(C1CCc2ncncc2C1)N(Cc1ccc2[nH]ccc2c1)Cc1cccs1
InChIInChI=1S/C23H22N4OS/c28-23(18-4-6-22-19(11-18)12-24-15-26-22)27(14-20-2-1-9-29-20)13-16-3-5-21-17(10-16)7-8-25-21/h1-3,5,7-10,12,15,18,25H,4,6,11,13-14H2
InChIKeyDBMAOXGJABRXII-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.35
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 166395927) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID166395927
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(C1CCc2ncncc2C1)N(Cc1ccc2[nH]ccc2c1)Cc1cccs1
InChIInChI=1S/C23H22N4OS/c28-23(18-4-6-22-19(11-18)12-24-15-26-22)27(14-20-2-1-9-29-20)13-16-3-5-21-17(10-16)7-8-25-21/h1-3,5,7-10,12,15,18,25H,4,6,11,13-14H2
InChIKeyDBMAOXGJABRXII-UHFFFAOYSA-N
XLogP4.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

3-(1-acetylpiperidin-4-yl)-1-(1H-indol-5-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 167782243
(E)-3-(4-fluoronaphthalen-1-yl)-N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 166375669
2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid
CID 167930327
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 166395927) is N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is O=C(C1CCc2ncncc2C1)N(Cc1ccc2[nH]ccc2c1)Cc1cccs1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is DBMAOXGJABRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c28-23(18-4-6-22-19(11-18)12-24-15-26-22)27(14-20-2-1-9-29-20)13-16-3-5-21-17(10-16)7-8-25-21/h1-3,5,7-10,12,15,18,25H,4,6,11,13-14H2.
What are the key properties of N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 166395927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).