N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine

C25H25ClN6O3 — CID 159396338

IUPACN-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
SMILESCOc1ccc(N(C)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(OC)cc2Cl)nn1
InChIInChI=1S/C25H25ClN6O3/c1-31(23-6-7-24(34-3)30-29-23)21-13-18(22(33-2)14-19(21)26)25-17-5-4-16(12-20(17)27-15-28-25)32-8-10-35-11-9-32/h4-7,12-15H,8-11H2,1-3H3
InChIKeyLMTNMKFWSXPBOZ-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.36
Rot. Bonds6

About N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine

N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine (PubChem CID 159396338) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
PubChem CID159396338
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC NameN-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
SMILESCOc1ccc(N(C)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(OC)cc2Cl)nn1
InChIInChI=1S/C25H25ClN6O3/c1-31(23-6-7-24(34-3)30-29-23)21-13-18(22(33-2)14-19(21)26)25-17-5-4-16(12-20(17)27-15-28-25)32-8-10-35-11-9-32/h4-7,12-15H,8-11H2,1-3H3
InChIKeyLMTNMKFWSXPBOZ-UHFFFAOYSA-N
XLogP4.36
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 118954975
[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 135268970
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 135268560
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929903
4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 144744787
[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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine?
The IUPAC name of N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine (CID 159396338) is N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine?
The canonical SMILES for N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine is COc1ccc(N(C)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(OC)cc2Cl)nn1.
What is the InChIKey of N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine?
The InChIKey is LMTNMKFWSXPBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-31(23-6-7-24(34-3)30-29-23)21-13-18(22(33-2)14-19(21)26)25-17-5-4-16(12-20(17)27-15-28-25)32-8-10-35-11-9-32/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine?
N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine has a molecular weight of 492.97 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine is sourced from PubChem (CID 159396338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).