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

C21H23N5O2 — CID 142798674

IUPAC4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1cccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)c1
InChIInChI=1S/C21H23N5O2/c1-28-16-7-2-6-15(11-16)26-10-4-5-14(12-26)25-21-18-9-3-8-17(20(22)27)19(18)23-13-24-21/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyGOAPVIWQGJHSFA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.82
Rot. Bonds5

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

4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide (PubChem CID 142798674) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
PubChem CID142798674
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1cccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)c1
InChIInChI=1S/C21H23N5O2/c1-28-16-7-2-6-15(11-16)26-10-4-5-14(12-26)25-21-18-9-3-8-17(20(22)27)19(18)23-13-24-21/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyGOAPVIWQGJHSFA-UHFFFAOYSA-N
XLogP2.82
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide (CID 142798674) is 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide is COc1cccc(N2CCCC(Nc3ncnc4c(C(N)=O)cccc34)C2)c1.
What is the InChIKey of 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
The InChIKey is GOAPVIWQGJHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-16-7-2-6-15(11-16)26-10-4-5-14(12-26)25-21-18-9-3-8-17(20(22)27)19(18)23-13-24-21/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3,(H2,22,27)(H,23,24,25).
What are the key properties of 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide?
4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 142798674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).