7-chloro-N-methoxy-N-methylquinazolin-4-amine

C10H10ClN3O — CID 119091213

IUPAC7-chloro-N-methoxy-N-methylquinazolin-4-amine
SMILESCON(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C10H10ClN3O/c1-14(15-2)10-8-4-3-7(11)5-9(8)12-6-13-10/h3-6H,1-2H3
InChIKeyDQGAAGHNTUZKAM-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.28
Rot. Bonds2

About 7-chloro-N-methoxy-N-methylquinazolin-4-amine

7-chloro-N-methoxy-N-methylquinazolin-4-amine (PubChem CID 119091213) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-N-methoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methoxy-N-methylquinazolin-4-amine
PubChem CID119091213
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name7-chloro-N-methoxy-N-methylquinazolin-4-amine
SMILESCON(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C10H10ClN3O/c1-14(15-2)10-8-4-3-7(11)5-9(8)12-6-13-10/h3-6H,1-2H3
InChIKeyDQGAAGHNTUZKAM-UHFFFAOYSA-N
XLogP2.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methoxy-N-methylquinazolin-4-amine?
The IUPAC name of 7-chloro-N-methoxy-N-methylquinazolin-4-amine (CID 119091213) is 7-chloro-N-methoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-methoxy-N-methylquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-methoxy-N-methylquinazolin-4-amine is CON(C)c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-methoxy-N-methylquinazolin-4-amine?
The InChIKey is DQGAAGHNTUZKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14(15-2)10-8-4-3-7(11)5-9(8)12-6-13-10/h3-6H,1-2H3.
What are the key properties of 7-chloro-N-methoxy-N-methylquinazolin-4-amine?
7-chloro-N-methoxy-N-methylquinazolin-4-amine has a molecular weight of 223.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 119091213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).