N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide

C20H26N4O — CID 72861433

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCCc3nc(N(C)C)ncc32)cc1C
InChIInChI=1S/C20H26N4O/c1-12-9-14(3)15(10-13(12)2)19(25)22-17-7-6-8-18-16(17)11-21-20(23-18)24(4)5/h9-11,17H,6-8H2,1-5H3,(H,22,25)
InChIKeyWOGUCTPBBSJHFR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.28
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide (PubChem CID 72861433) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
PubChem CID72861433
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCCc3nc(N(C)C)ncc32)cc1C
InChIInChI=1S/C20H26N4O/c1-12-9-14(3)15(10-13(12)2)19(25)22-17-7-6-8-18-16(17)11-21-20(23-18)24(4)5/h9-11,17H,6-8H2,1-5H3,(H,22,25)
InChIKeyWOGUCTPBBSJHFR-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25138148
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CID 10278414
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CID 11302050
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CID 44520947
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CID 118948181
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide (CID 72861433) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NC2CCCc3nc(N(C)C)ncc32)cc1C.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide?
The InChIKey is WOGUCTPBBSJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12-9-14(3)15(10-13(12)2)19(25)22-17-7-6-8-18-16(17)11-21-20(23-18)24(4)5/h9-11,17H,6-8H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide has a molecular weight of 338.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 72861433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).