4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine

C23H30N6O — CID 57283012

IUPAC4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
SMILESCCC(Oc1cc2ncnc(Nc3cccc(C)c3)c2cc1N)N1CCN(C)CC1
InChIInChI=1S/C23H30N6O/c1-4-22(29-10-8-28(3)9-11-29)30-21-14-20-18(13-19(21)24)23(26-15-25-20)27-17-7-5-6-16(2)12-17/h5-7,12-15,22H,4,8-11,24H2,1-3H3,(H,25,26,27)
InChIKeyCYWWYWYPYCXKGG-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.63
Rot. Bonds6

About 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine

4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine (PubChem CID 57283012) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
PubChem CID57283012
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
SMILESCCC(Oc1cc2ncnc(Nc3cccc(C)c3)c2cc1N)N1CCN(C)CC1
InChIInChI=1S/C23H30N6O/c1-4-22(29-10-8-28(3)9-11-29)30-21-14-20-18(13-19(21)24)23(26-15-25-20)27-17-7-5-6-16(2)12-17/h5-7,12-15,22H,4,8-11,24H2,1-3H3,(H,25,26,27)
InChIKeyCYWWYWYPYCXKGG-UHFFFAOYSA-N
XLogP3.63
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
ethyl 3-[4-[1-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]propanoate
CID 56997297
ethyl 4-[4-[3-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]butanoate
CID 22269897
4-[1-[6-amino-4-(3-chloro-4-fluoroanilino)quinazolin-7-yl]oxypropyl]-6,6-dimethylmorpholin-2-one
CID 90702530
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739
ethyl 2-[4-[3-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 22270177
methyl 2-[4-[1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]acetate
CID 70205822
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
CID 54546578
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387
1-[6-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]-3-(3-methylphenyl)urea
CID 51347470

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine (CID 57283012) is 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine is CCC(Oc1cc2ncnc(Nc3cccc(C)c3)c2cc1N)N1CCN(C)CC1.
What is the InChIKey of 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine?
The InChIKey is CYWWYWYPYCXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-4-22(29-10-8-28(3)9-11-29)30-21-14-20-18(13-19(21)24)23(26-15-25-20)27-17-7-5-6-16(2)12-17/h5-7,12-15,22H,4,8-11,24H2,1-3H3,(H,25,26,27).
What are the key properties of 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine?
4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine has a molecular weight of 406.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine is sourced from PubChem (CID 57283012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).