N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine

C29H40N4 — CID 134186481

IUPACN-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine
SMILESC=C(CCCCc1cc(N(CCCCC)c2nc(C)nc3ccccc23)ccc1CC)NC
InChIInChI=1S/C29H40N4/c1-6-8-13-20-33(29-27-16-11-12-17-28(27)31-23(4)32-29)26-19-18-24(7-2)25(21-26)15-10-9-14-22(3)30-5/h11-12,16-19,21,30H,3,6-10,13-15,20H2,1-2,4-5H3
InChIKeyOZICUWWPUPUDGS-UHFFFAOYSA-N
MW444.67 g/mol
LogP7.27
Rot. Bonds13

About N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine

N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine (PubChem CID 134186481) has the molecular formula C29H40N4 and a molecular weight of 444.67 g/mol. Its IUPAC name is N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine
PubChem CID134186481
Molecular FormulaC29H40N4
Molecular Weight444.67 g/mol
Exact Mass444.33
IUPAC NameN-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine
SMILESC=C(CCCCc1cc(N(CCCCC)c2nc(C)nc3ccccc23)ccc1CC)NC
InChIInChI=1S/C29H40N4/c1-6-8-13-20-33(29-27-16-11-12-17-28(27)31-23(4)32-29)26-19-18-24(7-2)25(21-26)15-10-9-14-22(3)30-5/h11-12,16-19,21,30H,3,6-10,13-15,20H2,1-2,4-5H3
InChIKeyOZICUWWPUPUDGS-UHFFFAOYSA-N
XLogP7.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine with MolForge

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Related Compounds

N-[3-(5-ethoxyhex-5-enyl)-4-ethylphenyl]-2-methyl-N-propylquinazolin-4-amine
CID 134186594
5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
CID 134186574
ethyl 5-[2-ethyl-5-[methoxymethoxymethyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanoate
CID 134186608
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
4-hexyl-2-methylquinoline
CID 12861362
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
4-ethyl-2-hexylquinoline
CID 143260250
1-octadecylacridine
CID 87175858
N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 134186542
1-hexadecylacridine;hydrochloride
CID 172754650
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
2-chloro-4-pentadecylquinoline
CID 3679887

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine?
The IUPAC name of N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine (CID 134186481) is N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine.
What is the SMILES notation for N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine?
The canonical SMILES for N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine is C=C(CCCCc1cc(N(CCCCC)c2nc(C)nc3ccccc23)ccc1CC)NC.
What is the InChIKey of N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine?
The InChIKey is OZICUWWPUPUDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4/c1-6-8-13-20-33(29-27-16-11-12-17-28(27)31-23(4)32-29)26-19-18-24(7-2)25(21-26)15-10-9-14-22(3)30-5/h11-12,16-19,21,30H,3,6-10,13-15,20H2,1-2,4-5H3.
What are the key properties of N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine?
N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine has a molecular weight of 444.67 g/mol, XLogP of 7.27, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine is sourced from PubChem (CID 134186481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).