2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C15H24ClN3O2 — CID 88943490

IUPAC2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(CCNc1nc(Cl)nc2c1CCCC2)OCC
InChIInChI=1S/C15H24ClN3O2/c1-3-20-13(21-4-2)9-10-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWDWRCMJKOJJLFI-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.21
Rot. Bonds8

About 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 88943490) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID88943490
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(CCNc1nc(Cl)nc2c1CCCC2)OCC
InChIInChI=1S/C15H24ClN3O2/c1-3-20-13(21-4-2)9-10-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWDWRCMJKOJJLFI-UHFFFAOYSA-N
XLogP3.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 88943490) is 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCOC(CCNc1nc(Cl)nc2c1CCCC2)OCC.
What is the InChIKey of 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is WDWRCMJKOJJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-3-20-13(21-4-2)9-10-17-14-11-7-5-6-8-12(11)18-15(16)19-14/h13H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 313.83 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-diethoxypropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 88943490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).