4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide

C17H16N4O2 — CID 66763234

IUPAC4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12
InChIInChI=1S/C17H16N4O2/c18-16(23)12-7-4-8-13-15(12)20-10-21-17(13)19-9-14(22)11-5-2-1-3-6-11/h1-8,10,14,22H,9H2,(H2,18,23)(H,19,20,21)
InChIKeyWJTOKWCJOAQYTQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.87
Rot. Bonds5

About 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide

4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide (PubChem CID 66763234) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide
PubChem CID66763234
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12
InChIInChI=1S/C17H16N4O2/c18-16(23)12-7-4-8-13-15(12)20-10-21-17(13)19-9-14(22)11-5-2-1-3-6-11/h1-8,10,14,22H,9H2,(H2,18,23)(H,19,20,21)
InChIKeyWJTOKWCJOAQYTQ-UHFFFAOYSA-N
XLogP1.87
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide (CID 66763234) is 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12.
What is the InChIKey of 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide?
The InChIKey is WJTOKWCJOAQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-16(23)12-7-4-8-13-15(12)20-10-21-17(13)19-9-14(22)11-5-2-1-3-6-11/h1-8,10,14,22H,9H2,(H2,18,23)(H,19,20,21).
What are the key properties of 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide?
4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-phenylethyl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).