cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane

C19H19N3O3S — CID 177346013

IUPACcyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1cccc(COc2ncnc3cc(OC)ccc23)c1)C1CC1
InChIInChI=1S/C19H19N3O3S/c1-24-14-5-8-17-18(10-14)21-12-22-19(17)25-11-13-3-2-4-16(9-13)26(20,23)15-6-7-15/h2-5,8-10,12,15,20H,6-7,11H2,1H3
InChIKeyQCBJQLZKVUCFJO-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.79
Rot. Bonds6

About cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane

cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane (PubChem CID 177346013) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
PubChem CID177346013
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namecyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1cccc(COc2ncnc3cc(OC)ccc23)c1)C1CC1
InChIInChI=1S/C19H19N3O3S/c1-24-14-5-8-17-18(10-14)21-12-22-19(17)25-11-13-3-2-4-16(9-13)26(20,23)15-6-7-15/h2-5,8-10,12,15,20H,6-7,11H2,1H3
InChIKeyQCBJQLZKVUCFJO-UHFFFAOYSA-N
XLogP3.79
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane (CID 177346013) is cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane is [H]N=S(=O)(c1cccc(COc2ncnc3cc(OC)ccc23)c1)C1CC1.
What is the InChIKey of cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane?
The InChIKey is QCBJQLZKVUCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-5-8-17-18(10-14)21-12-22-19(17)25-11-13-3-2-4-16(9-13)26(20,23)15-6-7-15/h2-5,8-10,12,15,20H,6-7,11H2,1H3.
What are the key properties of cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane?
cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane has a molecular weight of 369.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane is sourced from PubChem (CID 177346013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).