8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde

C14H14BrN3O3 — CID 170753519

IUPAC8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
SMILESCn1c(N2CCOCC2)nc2c(Br)cc(C=O)cc2c1=O
InChIInChI=1S/C14H14BrN3O3/c1-17-13(20)10-6-9(8-19)7-11(15)12(10)16-14(17)18-2-4-21-5-3-18/h6-8H,2-5H2,1H3
InChIKeyRBDDYRFAAKAIDV-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.35
Rot. Bonds2

About 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde

8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde (PubChem CID 170753519) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde.

Molecular Properties

Compound Name8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
PubChem CID170753519
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
SMILESCn1c(N2CCOCC2)nc2c(Br)cc(C=O)cc2c1=O
InChIInChI=1S/C14H14BrN3O3/c1-17-13(20)10-6-9(8-19)7-11(15)12(10)16-14(17)18-2-4-21-5-3-18/h6-8H,2-5H2,1H3
InChIKeyRBDDYRFAAKAIDV-UHFFFAOYSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde?
The IUPAC name of 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde (CID 170753519) is 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde.
What is the SMILES notation for 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde?
The canonical SMILES for 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde is Cn1c(N2CCOCC2)nc2c(Br)cc(C=O)cc2c1=O.
What is the InChIKey of 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde?
The InChIKey is RBDDYRFAAKAIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-17-13(20)10-6-9(8-19)7-11(15)12(10)16-14(17)18-2-4-21-5-3-18/h6-8H,2-5H2,1H3.
What are the key properties of 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde?
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde has a molecular weight of 352.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde is sourced from PubChem (CID 170753519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).