7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one

C13H15N3O2 — CID 175074692

IUPAC7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one
SMILESC[C@@H]1COCCN1c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C13H15N3O2/c1-9-7-18-5-4-16(9)10-2-3-11-12(6-10)14-8-15-13(11)17/h2-3,6,8-9H,4-5,7H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyZFKVRMIYXAROGD-SECBINFHSA-N
MW245.28 g/mol
LogP1.15
Rot. Bonds1

About 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one

7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one (PubChem CID 175074692) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one
PubChem CID175074692
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one
SMILESC[C@@H]1COCCN1c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C13H15N3O2/c1-9-7-18-5-4-16(9)10-2-3-11-12(6-10)14-8-15-13(11)17/h2-3,6,8-9H,4-5,7H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyZFKVRMIYXAROGD-SECBINFHSA-N
XLogP1.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 175744435
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532
methane;(3S)-3-methyl-4-(3-morpholin-4-ylphenyl)morpholine
CID 145463706
(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
CID 134252909
2-chloro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 62949124
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83002865
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one (CID 175074692) is 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one is C[C@@H]1COCCN1c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one?
The InChIKey is ZFKVRMIYXAROGD-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-18-5-4-16(9)10-2-3-11-12(6-10)14-8-15-13(11)17/h2-3,6,8-9H,4-5,7H2,1H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one?
7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 175074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).