3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide

C19H26Cl2N4O — CID 83281775

IUPAC3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)NC(C)C)c1nc(CC)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C19H26Cl2N4O/c1-5-8-25(9-7-17(26)22-12(3)4)19-14-10-13(20)11-15(21)18(14)23-16(6-2)24-19/h10-12H,5-9H2,1-4H3,(H,22,26)
InChIKeyMAQUDUKMSRZUPH-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.63
Rot. Bonds8

About 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide (PubChem CID 83281775) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide
PubChem CID83281775
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)NC(C)C)c1nc(CC)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C19H26Cl2N4O/c1-5-8-25(9-7-17(26)22-12(3)4)19-14-10-13(20)11-15(21)18(14)23-16(6-2)24-19/h10-12H,5-9H2,1-4H3,(H,22,26)
InChIKeyMAQUDUKMSRZUPH-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide (CID 83281775) is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide is CCCN(CCC(=O)NC(C)C)c1nc(CC)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide?
The InChIKey is MAQUDUKMSRZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O/c1-5-8-25(9-7-17(26)22-12(3)4)19-14-10-13(20)11-15(21)18(14)23-16(6-2)24-19/h10-12H,5-9H2,1-4H3,(H,22,26).
What are the key properties of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide?
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide has a molecular weight of 397.35 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 83281775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).