2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone

C22H26N4O3 — CID 151788740

IUPAC2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone
SMILESCC(N)[C@@H]1N=c2cccc(OCC(=O)N3CCOCC3)c2=CN1c1ccccc1
InChIInChI=1S/C22H26N4O3/c1-16(23)22-24-19-8-5-9-20(29-15-21(27)25-10-12-28-13-11-25)18(19)14-26(22)17-6-3-2-4-7-17/h2-9,14,16,22H,10-13,15,23H2,1H3/t16?,22-/m1/s1
InChIKeyRWEBFHAESGBETF-VXNXSFHZSA-N
MW394.48 g/mol
LogP0.48
Rot. Bonds5

About 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone

2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone (PubChem CID 151788740) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone
PubChem CID151788740
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone
SMILESCC(N)[C@@H]1N=c2cccc(OCC(=O)N3CCOCC3)c2=CN1c1ccccc1
InChIInChI=1S/C22H26N4O3/c1-16(23)22-24-19-8-5-9-20(29-15-21(27)25-10-12-28-13-11-25)18(19)14-26(22)17-6-3-2-4-7-17/h2-9,14,16,22H,10-13,15,23H2,1H3/t16?,22-/m1/s1
InChIKeyRWEBFHAESGBETF-VXNXSFHZSA-N
XLogP0.48
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138651
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135540509
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
CID 63368114
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone (CID 151788740) is 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone is CC(N)[C@@H]1N=c2cccc(OCC(=O)N3CCOCC3)c2=CN1c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone?
The InChIKey is RWEBFHAESGBETF-VXNXSFHZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(23)22-24-19-8-5-9-20(29-15-21(27)25-10-12-28-13-11-25)18(19)14-26(22)17-6-3-2-4-7-17/h2-9,14,16,22H,10-13,15,23H2,1H3/t16?,22-/m1/s1.
What are the key properties of 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone?
2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone has a molecular weight of 394.48 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 151788740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).