ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine

C26H29FN6O — CID 144744998

IUPACethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
SMILESCC.Cc1nnccc1C(N)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H23FN6O.C2H6/c1-15-18(6-7-29-30-15)23(26)16-2-5-21(25)20(12-16)24-19-4-3-17(13-22(19)27-14-28-24)31-8-10-32-11-9-31;1-2/h2-7,12-14,23H,8-11,26H2,1H3;1-2H3
InChIKeyQTNXZSZCHSIQCW-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.45
Rot. Bonds4

About ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine

ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine (PubChem CID 144744998) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Nameethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
PubChem CID144744998
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Nameethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
SMILESCC.Cc1nnccc1C(N)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H23FN6O.C2H6/c1-15-18(6-7-29-30-15)23(26)16-2-5-21(25)20(12-16)24-19-4-3-17(13-22(19)27-14-28-24)31-8-10-32-11-9-31;1-2/h2-7,12-14,23H,8-11,26H2,1H3;1-2H3
InChIKeyQTNXZSZCHSIQCW-UHFFFAOYSA-N
XLogP4.45
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
ethane;(2E,4Z)-1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2,3-dimethyl-5-(methylideneamino)penta-2,4-dien-1-ol
CID 144744887
2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(1-propan-2-ylpyrazol-4-yl)acetaldehyde
CID 135268374
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954923
4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 144744787

Frequently Asked Questions

What is the IUPAC name of ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine?
The IUPAC name of ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine (CID 144744998) is ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine?
The canonical SMILES for ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine is CC.Cc1nnccc1C(N)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1.
What is the InChIKey of ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine?
The InChIKey is QTNXZSZCHSIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O.C2H6/c1-15-18(6-7-29-30-15)23(26)16-2-5-21(25)20(12-16)24-19-4-3-17(13-22(19)27-14-28-24)31-8-10-32-11-9-31;1-2/h2-7,12-14,23H,8-11,26H2,1H3;1-2H3.
What are the key properties of ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine?
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine has a molecular weight of 460.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 144744998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).