[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol

C19H24N6O3 — CID 141442333

IUPAC[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol
SMILESCc1cc(Nc2nc(CO)nc3cc(OCCN4CCOCC4)ccc23)n[nH]1
InChIInChI=1S/C19H24N6O3/c1-13-10-17(24-23-13)21-19-15-3-2-14(11-16(15)20-18(12-26)22-19)28-9-6-25-4-7-27-8-5-25/h2-3,10-11,26H,4-9,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyHXZUVJHRERKBNZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.61
Rot. Bonds7

About [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol

[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol (PubChem CID 141442333) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol
PubChem CID141442333
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol
SMILESCc1cc(Nc2nc(CO)nc3cc(OCCN4CCOCC4)ccc23)n[nH]1
InChIInChI=1S/C19H24N6O3/c1-13-10-17(24-23-13)21-19-15-3-2-14(11-16(15)20-18(12-26)22-19)28-9-6-25-4-7-27-8-5-25/h2-3,10-11,26H,4-9,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyHXZUVJHRERKBNZ-UHFFFAOYSA-N
XLogP1.61
TPSA108.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol?
The IUPAC name of [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol (CID 141442333) is [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol.
What is the SMILES notation for [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol?
The canonical SMILES for [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol is Cc1cc(Nc2nc(CO)nc3cc(OCCN4CCOCC4)ccc23)n[nH]1.
What is the InChIKey of [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol?
The InChIKey is HXZUVJHRERKBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-13-10-17(24-23-13)21-19-15-3-2-14(11-16(15)20-18(12-26)22-19)28-9-6-25-4-7-27-8-5-25/h2-3,10-11,26H,4-9,12H2,1H3,(H2,20,21,22,23,24).
What are the key properties of [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol?
[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol has a molecular weight of 384.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)quinazolin-2-yl]methanol is sourced from PubChem (CID 141442333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).