6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine

C14H14ClN5O — CID 19392203

IUPAC6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-n2ccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H14ClN5O/c1-21-7-5-17-13-11-8-10(15)2-3-12(11)18-14(19-13)20-6-4-16-9-20/h2-4,6,8-9H,5,7H2,1H3,(H,17,18,19)
InChIKeyOZXJSNNGSBGGCX-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.53
Rot. Bonds5

About 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine

6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine (PubChem CID 19392203) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
PubChem CID19392203
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-n2ccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H14ClN5O/c1-21-7-5-17-13-11-8-10(15)2-3-12(11)18-14(19-13)20-6-4-16-9-20/h2-4,6,8-9H,5,7H2,1H3,(H,17,18,19)
InChIKeyOZXJSNNGSBGGCX-UHFFFAOYSA-N
XLogP2.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine (CID 19392203) is 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine is COCCNc1nc(-n2ccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine?
The InChIKey is OZXJSNNGSBGGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-21-7-5-17-13-11-8-10(15)2-3-12(11)18-14(19-13)20-6-4-16-9-20/h2-4,6,8-9H,5,7H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine?
6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 19392203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).