2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine

C25H29N7 — CID 175956399

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
SMILESCc1ccncc1-c1ccc(N)c2c1NC(N)(c1ccc(N3CCN(C)CC3)cc1)N=C2
InChIInChI=1S/C25H29N7/c1-17-9-10-28-15-21(17)20-7-8-23(26)22-16-29-25(27,30-24(20)22)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16,30H,11-14,26-27H2,1-2H3
InChIKeyVYOWLNYQKUZKNO-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine

2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine (PubChem CID 175956399) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
PubChem CID175956399
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
SMILESCc1ccncc1-c1ccc(N)c2c1NC(N)(c1ccc(N3CCN(C)CC3)cc1)N=C2
InChIInChI=1S/C25H29N7/c1-17-9-10-28-15-21(17)20-7-8-23(26)22-16-29-25(27,30-24(20)22)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16,30H,11-14,26-27H2,1-2H3
InChIKeyVYOWLNYQKUZKNO-UHFFFAOYSA-N
XLogP3.00
TPSA95.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
CID 175956391
4-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)quinazoline-2,5-diamine
CID 170311040
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(4-methyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712528
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 135308471
2-(4-methyl-3-pyridinyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 86217446
ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
CID 177158844
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
2-(4-methyl-3-pyridinyl)aniline
CID 65438543
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine
CID 154369854
5-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 66637307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine (CID 175956399) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine is Cc1ccncc1-c1ccc(N)c2c1NC(N)(c1ccc(N3CCN(C)CC3)cc1)N=C2.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The InChIKey is VYOWLNYQKUZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-17-9-10-28-15-21(17)20-7-8-23(26)22-16-29-25(27,30-24(20)22)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16,30H,11-14,26-27H2,1-2H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine has a molecular weight of 427.56 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine is sourced from PubChem (CID 175956399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).