N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide

C19H21N5O3 — CID 138588417

IUPACN-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)C4CCOCC4)nc3c2)c1CO
InChIInChI=1S/C19H21N5O3/c1-24-17(11-25)15(10-21-24)13-2-3-14-9-20-19(22-16(14)8-13)23-18(26)12-4-6-27-7-5-12/h2-3,8-10,12,25H,4-7,11H2,1H3,(H,20,22,23,26)
InChIKeyWLICNSDRPDDWNT-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.89
Rot. Bonds4

About N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide

N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide (PubChem CID 138588417) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
PubChem CID138588417
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)C4CCOCC4)nc3c2)c1CO
InChIInChI=1S/C19H21N5O3/c1-24-17(11-25)15(10-21-24)13-2-3-14-9-20-19(22-16(14)8-13)23-18(26)12-4-6-27-7-5-12/h2-3,8-10,12,25H,4-7,11H2,1H3,(H,20,22,23,26)
InChIKeyWLICNSDRPDDWNT-UHFFFAOYSA-N
XLogP1.89
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide (CID 138588417) is N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide is Cn1ncc(-c2ccc3cnc(NC(=O)C4CCOCC4)nc3c2)c1CO.
What is the InChIKey of N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide?
The InChIKey is WLICNSDRPDDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-17(11-25)15(10-21-24)13-2-3-14-9-20-19(22-16(14)8-13)23-18(26)12-4-6-27-7-5-12/h2-3,8-10,12,25H,4-7,11H2,1H3,(H,20,22,23,26).
What are the key properties of N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide?
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 138588417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).