2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

C25H30N8O3 — CID 127025342

IUPAC2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31)
InChIKeyOVVVCCFJRNGOFS-UHFFFAOYSA-N
MW490.57 g/mol
LogP2.74
Rot. Bonds8

About 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 127025342) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID127025342
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31)
InChIKeyOVVVCCFJRNGOFS-UHFFFAOYSA-N
XLogP2.74
TPSA126.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
CID 127026831
4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline
CID 67274115
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
2-[4-[4-[[3-amino-7-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-6-methoxyquinolin-4-yl]amino]phenoxy]phenoxy]-N-methylacetamide
CID 71089076
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
7-[3-[(2S)-2,6-dimethylmorpholin-4-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550763
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
N-[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-7-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-6-methoxyquinazolin-4-amine
CID 10347986
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 127025342) is 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCN1CC(C)OC(C)C1.
What is the InChIKey of 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is OVVVCCFJRNGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31).
What are the key properties of 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 490.57 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127025342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).