2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride

C17H22ClN4O2- — CID 53351083

IUPAC2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
SMILES[Cl-].c1ccc2c(NCC3CCCO3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C17H22N4O2.ClH/c1-2-6-15-14(5-1)16(18-12-13-4-3-9-23-13)20-17(19-15)21-7-10-22-11-8-21;/h1-2,5-6,13H,3-4,7-12H2,(H,18,19,20);1H/p-1
InChIKeyXJOYQBZPAVVQBT-UHFFFAOYSA-M
MW349.84 g/mol
LogP-0.94
Rot. Bonds4

About 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride

2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride (PubChem CID 53351083) has the molecular formula C17H22ClN4O2- and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
PubChem CID53351083
Molecular FormulaC17H22ClN4O2-
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
SMILES[Cl-].c1ccc2c(NCC3CCCO3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C17H22N4O2.ClH/c1-2-6-15-14(5-1)16(18-12-13-4-3-9-23-13)20-17(19-15)21-7-10-22-11-8-21;/h1-2,5-6,13H,3-4,7-12H2,(H,18,19,20);1H/p-1
InChIKeyXJOYQBZPAVVQBT-UHFFFAOYSA-M
XLogP-0.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
CID 91963759
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride?
The IUPAC name of 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride (CID 53351083) is 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride.
What is the SMILES notation for 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride?
The canonical SMILES for 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride is [Cl-].c1ccc2c(NCC3CCCO3)nc(N3CCOCC3)nc2c1.
What is the InChIKey of 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride?
The InChIKey is XJOYQBZPAVVQBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-2-6-15-14(5-1)16(18-12-13-4-3-9-23-13)20-17(19-15)21-7-10-22-11-8-21;/h1-2,5-6,13H,3-4,7-12H2,(H,18,19,20);1H/p-1.
What are the key properties of 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride?
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride has a molecular weight of 349.84 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride is sourced from PubChem (CID 53351083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).