4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol

C19H20N4O2 — CID 21004213

IUPAC4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c24-15-7-5-14(6-8-15)20-19-16-3-1-2-4-17(16)21-18(22-19)13-23-9-11-25-12-10-23/h1-8,24H,9-13H2,(H,20,21,22)
InChIKeyIMUGLSNBACERMN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.91
Rot. Bonds4

About 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol

4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol (PubChem CID 21004213) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
PubChem CID21004213
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c24-15-7-5-14(6-8-15)20-19-16-3-1-2-4-17(16)21-18(22-19)13-23-9-11-25-12-10-23/h1-8,24H,9-13H2,(H,20,21,22)
InChIKeyIMUGLSNBACERMN-UHFFFAOYSA-N
XLogP2.91
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
CID 170560487
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
CID 21004205
4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
CID 21004190
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004296
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide
CID 24585309
(2S)-N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30239510
2-(fluoromethyl)-N-phenylquinazolin-4-amine
CID 67336350
N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 46678835

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol (CID 21004213) is 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol is Oc1ccc(Nc2nc(CN3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol?
The InChIKey is IMUGLSNBACERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-15-7-5-14(6-8-15)20-19-16-3-1-2-4-17(16)21-18(22-19)13-23-9-11-25-12-10-23/h1-8,24H,9-13H2,(H,20,21,22).
What are the key properties of 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol?
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol has a molecular weight of 336.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 21004213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).