4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide

C20H19ClN4O3 — CID 164625280

IUPAC4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
SMILESC[C@@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C20H19ClN4O3/c1-12-11-28-9-8-25(12)19-16-7-6-15(21)10-17(16)22-18(23-19)13-2-4-14(5-3-13)20(26)24-27/h2-7,10,12,27H,8-9,11H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyMEWOWLRYSDUDAO-GFCCVEGCSA-N
MW398.85 g/mol
LogP3.29
Rot. Bonds3

About 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide

4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (PubChem CID 164625280) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
PubChem CID164625280
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
SMILESC[C@@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C20H19ClN4O3/c1-12-11-28-9-8-25(12)19-16-7-6-15(21)10-17(16)22-18(23-19)13-2-4-14(5-3-13)20(26)24-27/h2-7,10,12,27H,8-9,11H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyMEWOWLRYSDUDAO-GFCCVEGCSA-N
XLogP3.29
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide
CID 164610201
4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
CID 164627540
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
CID 141218881
3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991206
[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate
CID 67749597
3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
CID 155131278
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
1-ethyl-3-[4-[6-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912386
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (CID 164625280) is 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide is C[C@@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The InChIKey is MEWOWLRYSDUDAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-11-28-9-8-25(12)19-16-7-6-15(21)10-17(16)22-18(23-19)13-2-4-14(5-3-13)20(26)24-27/h2-7,10,12,27H,8-9,11H2,1H3,(H,24,26)/t12-/m1/s1.
What are the key properties of 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide has a molecular weight of 398.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 164625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).