2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile

C27H25FN6O2 — CID 135268379

IUPAC2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1ccc(OC(C)C#N)nn1
InChIInChI=1S/C27H25FN6O2/c1-17-11-24(28)23(13-19(17)12-20-3-6-26(33-32-20)36-18(2)15-29)27-22-5-4-21(14-25(22)30-16-31-27)34-7-9-35-10-8-34/h3-6,11,13-14,16,18H,7-10,12H2,1-2H3
InChIKeyXRMOMQZQQSAERS-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.25
Rot. Bonds6

About 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile

2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile (PubChem CID 135268379) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile.

Molecular Properties

Compound Name2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile
PubChem CID135268379
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1ccc(OC(C)C#N)nn1
InChIInChI=1S/C27H25FN6O2/c1-17-11-24(28)23(13-19(17)12-20-3-6-26(33-32-20)36-18(2)15-29)27-22-5-4-21(14-25(22)30-16-31-27)34-7-9-35-10-8-34/h3-6,11,13-14,16,18H,7-10,12H2,1-2H3
InChIKeyXRMOMQZQQSAERS-UHFFFAOYSA-N
XLogP4.25
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile 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-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744962
ethane;[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744961
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
CID 135268702
1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one
CID 135268596
4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 144744787
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954923
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile?
The IUPAC name of 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile (CID 135268379) is 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile.
What is the SMILES notation for 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile?
The canonical SMILES for 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile is Cc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1ccc(OC(C)C#N)nn1.
What is the InChIKey of 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile?
The InChIKey is XRMOMQZQQSAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-17-11-24(28)23(13-19(17)12-20-3-6-26(33-32-20)36-18(2)15-29)27-22-5-4-21(14-25(22)30-16-31-27)34-7-9-35-10-8-34/h3-6,11,13-14,16,18H,7-10,12H2,1-2H3.
What are the key properties of 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile?
2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile has a molecular weight of 484.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile is sourced from PubChem (CID 135268379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).