4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide

C22H25N5O3 — CID 142798696

IUPAC4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-18-9-8-15(11-19(18)30-2)27-10-4-5-14(12-27)26-22-17-7-3-6-16(21(23)28)20(17)24-13-25-22/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyJOTBSSYQBUWYIQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.83
Rot. Bonds6

About 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide

4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide (PubChem CID 142798696) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
PubChem CID142798696
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-18-9-8-15(11-19(18)30-2)27-10-4-5-14(12-27)26-22-17-7-3-6-16(21(23)28)20(17)24-13-25-22/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyJOTBSSYQBUWYIQ-UHFFFAOYSA-N
XLogP2.83
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798674
4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide
CID 142798676
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
4-[[(3R,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66714935
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67607088
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
4-amino-N-(3,4-dimethoxyphenyl)-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 152628745
4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66715280
4-[[(3S,4R)-4-[3-(2H-azirin-2-yl)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 126659129
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
4-[[(3S,4R)-4-naphthalen-2-ylpyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 56640484

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide (CID 142798696) is 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide is COc1ccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)cc1OC.
What is the InChIKey of 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The InChIKey is JOTBSSYQBUWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-18-9-8-15(11-19(18)30-2)27-10-4-5-14(12-27)26-22-17-7-3-6-16(21(23)28)20(17)24-13-25-22/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,23,28)(H,24,25,26).
What are the key properties of 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 142798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).