N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide

C26H29ClFN5O4 — CID 67426574

IUPACN-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide
SMILESCOc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(OC3CCC(NC(=O)N4CCOCC4)CC3)nc2c1
InChIInChI=1S/C26H29ClFN5O4/c1-35-19-7-8-20-23(15-19)31-25(32-24(20)29-17-4-9-22(28)21(27)14-17)37-18-5-2-16(3-6-18)30-26(34)33-10-12-36-13-11-33/h4,7-9,14-16,18H,2-3,5-6,10-13H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyLTYHESNMPJOOGM-UHFFFAOYSA-N
MW530.00 g/mol
LogP4.91
Rot. Bonds6

About N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide

N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide (PubChem CID 67426574) has the molecular formula C26H29ClFN5O4 and a molecular weight of 530.00 g/mol. Its IUPAC name is N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide
PubChem CID67426574
Molecular FormulaC26H29ClFN5O4
Molecular Weight530.00 g/mol
Exact Mass529.19
IUPAC NameN-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide
SMILESCOc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(OC3CCC(NC(=O)N4CCOCC4)CC3)nc2c1
InChIInChI=1S/C26H29ClFN5O4/c1-35-19-7-8-20-23(15-19)31-25(32-24(20)29-17-4-9-22(28)21(27)14-17)37-18-5-2-16(3-6-18)30-26(34)33-10-12-36-13-11-33/h4,7-9,14-16,18H,2-3,5-6,10-13H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyLTYHESNMPJOOGM-UHFFFAOYSA-N
XLogP4.91
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.00
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide with MolForge

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Related Compounds

1-[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-2-yl]oxypiperidin-1-yl]-2-hydroxyethanone
CID 90864155
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
bis(N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmorpholine-4-carboxamide);trihydrate
CID 53353656
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]morpholine-4-carboxamide
CID 58294896
[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 11330434
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
N-[4-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxymethoxy]cyclohexyl]-N-methylmorpholine-4-carboxamide
CID 69328781
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide (CID 67426574) is N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide is COc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(OC3CCC(NC(=O)N4CCOCC4)CC3)nc2c1.
What is the InChIKey of N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide?
The InChIKey is LTYHESNMPJOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN5O4/c1-35-19-7-8-20-23(15-19)31-25(32-24(20)29-17-4-9-22(28)21(27)14-17)37-18-5-2-16(3-6-18)30-26(34)33-10-12-36-13-11-33/h4,7-9,14-16,18H,2-3,5-6,10-13H2,1H3,(H,30,34)(H,29,31,32).
What are the key properties of N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide?
N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide has a molecular weight of 530.00 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 67426574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).