3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

C23H30N4O2 — CID 110237958

IUPAC3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCc3nc(N4CCCCC4)ncc32)cc1
InChIInChI=1S/C23H30N4O2/c1-29-18-11-8-17(9-12-18)10-13-22(28)25-20-6-5-7-21-19(20)16-24-23(26-21)27-14-3-2-4-15-27/h8-9,11-12,16,20H,2-7,10,13-15H2,1H3,(H,25,28)
InChIKeyKXSHZOKKVDJEEJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide (PubChem CID 110237958) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
PubChem CID110237958
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCc3nc(N4CCCCC4)ncc32)cc1
InChIInChI=1S/C23H30N4O2/c1-29-18-11-8-17(9-12-18)10-13-22(28)25-20-6-5-7-21-19(20)16-24-23(26-21)27-14-3-2-4-15-27/h8-9,11-12,16,20H,2-7,10,13-15H2,1H3,(H,25,28)
InChIKeyKXSHZOKKVDJEEJ-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
CID 110237895
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237952
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
CID 25303679
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
1-cyclopentyl-3-[3-(4-methoxyphenyl)propanoylamino]thiourea
CID 971187

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide (CID 110237958) is 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide is COc1ccc(CCC(=O)NC2CCCc3nc(N4CCCCC4)ncc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The InChIKey is KXSHZOKKVDJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-18-11-8-17(9-12-18)10-13-22(28)25-20-6-5-7-21-19(20)16-24-23(26-21)27-14-3-2-4-15-27/h8-9,11-12,16,20H,2-7,10,13-15H2,1H3,(H,25,28).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide is sourced from PubChem (CID 110237958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).