2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

C19H30N8O — CID 25483128

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cn2nnnc2CN(C)C(C)C)nc2c1CCCC2
InChIInChI=1S/C19H30N8O/c1-13(2)26(4)11-18-23-24-25-27(18)12-19(28)20-10-9-17-21-14(3)15-7-5-6-8-16(15)22-17/h13H,5-12H2,1-4H3,(H,20,28)
InChIKeySCOQTFHELQVEQQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.85
Rot. Bonds8

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (PubChem CID 25483128) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
PubChem CID25483128
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cn2nnnc2CN(C)C(C)C)nc2c1CCCC2
InChIInChI=1S/C19H30N8O/c1-13(2)26(4)11-18-23-24-25-27(18)12-19(28)20-10-9-17-21-14(3)15-7-5-6-8-16(15)22-17/h13H,5-12H2,1-4H3,(H,20,28)
InChIKeySCOQTFHELQVEQQ-UHFFFAOYSA-N
XLogP0.85
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (CID 25483128) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)Cn2nnnc2CN(C)C(C)C)nc2c1CCCC2.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The InChIKey is SCOQTFHELQVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-13(2)26(4)11-18-23-24-25-27(18)12-19(28)20-10-9-17-21-14(3)15-7-5-6-8-16(15)22-17/h13H,5-12H2,1-4H3,(H,20,28).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 25483128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).