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

C20H19ClN4O3 — CID 164616595

IUPAC4-[7-chloro-4-[(3S)-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-/m0/s1
InChIKeyMEWOWLRYSDUDAO-LBPRGKRZSA-N
MW398.85 g/mol
LogP3.29
Rot. Bonds3

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

4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (PubChem CID 164616595) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
PubChem CID164616595
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name4-[7-chloro-4-[(3S)-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-/m0/s1
InChIKeyMEWOWLRYSDUDAO-LBPRGKRZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (CID 164616595) is 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[7-chloro-4-[(3S)-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-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The InChIKey is MEWOWLRYSDUDAO-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 4-[7-chloro-4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
4-[7-chloro-4-[(3S)-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-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 164616595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).