1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol

C22H24ClFN4O3 — CID 58780766

IUPAC1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H24ClFN4O3/c1-14-8-17-20(10-21(14)31-12-16(29)11-28-4-6-30-7-5-28)25-13-26-22(17)27-19-3-2-15(23)9-18(19)24/h2-3,8-10,13,16,29H,4-7,11-12H2,1H3,(H,25,26,27)
InChIKeyQEDKXQZFSGBUKO-UHFFFAOYSA-N
MW446.91 g/mol
LogP3.55
Rot. Bonds7

About 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol

1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 58780766) has the molecular formula C22H24ClFN4O3 and a molecular weight of 446.91 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID58780766
Molecular FormulaC22H24ClFN4O3
Molecular Weight446.91 g/mol
Exact Mass446.15
IUPAC Name1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H24ClFN4O3/c1-14-8-17-20(10-21(14)31-12-16(29)11-28-4-6-30-7-5-28)25-13-26-22(17)27-19-3-2-15(23)9-18(19)24/h2-3,8-10,13,16,29H,4-7,11-12H2,1H3,(H,25,26,27)
InChIKeyQEDKXQZFSGBUKO-UHFFFAOYSA-N
XLogP3.55
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 10116957
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate
CID 67671472
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-morpholin-4-ylbut-2-enamide
CID 11511163
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
2-[4-[3-[4-(cyclopenta[b]pyran-5-ylamino)-6-methoxyquinazolin-7-yl]oxy-2-hydroxypropyl]piperazin-1-yl]acetonitrile
CID 87555418
N-(4-chloro-2-fluorophenyl)-7-[(4-cyclopentylmorpholin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 59779528

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol (CID 58780766) is 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol is Cc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QEDKXQZFSGBUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O3/c1-14-8-17-20(10-21(14)31-12-16(29)11-28-4-6-30-7-5-28)25-13-26-22(17)27-19-3-2-15(23)9-18(19)24/h2-3,8-10,13,16,29H,4-7,11-12H2,1H3,(H,25,26,27).
What are the key properties of 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 446.91 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 58780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).