N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea

C38H50ClFFmN8O6 — CID 145095136

IUPACN-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea
SMILESCC.CCCNC(N)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(Cc2ccc(NC(=O)CN[C-]=O)cc2)CCOCC1.[Fm]
InChIInChI=1S/C32H34ClFN6O5.C4H10N2O.C2H6.Fm/c1-43-29-17-28-25(32(37-20-36-28)39-24-7-8-27(34)26(33)15-24)16-30(29)45-12-2-9-40(10-13-44-14-11-40)19-22-3-5-23(6-4-22)38-31(42)18-35-21-41;1-2-3-6-4(5)7;1-2;/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,35,41)(H,38,42)(H,36,37,39);2-3H2,1H3,(H3,5,6,7);1-2H3;
InChIKeyTTZQRLFTZQRCFS-UHFFFAOYSA-N
MW1026.32 g/mol
LogP5.68
Rot. Bonds16

About N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea

N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea (PubChem CID 145095136) has the molecular formula C38H50ClFFmN8O6 and a molecular weight of 1026.32 g/mol. Its IUPAC name is N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea.

Molecular Properties

Compound NameN-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea
PubChem CID145095136
Molecular FormulaC38H50ClFFmN8O6
Molecular Weight1026.32 g/mol
Exact Mass1025.45
IUPAC NameN-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea
SMILESCC.CCCNC(N)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(Cc2ccc(NC(=O)CN[C-]=O)cc2)CCOCC1.[Fm]
InChIInChI=1S/C32H34ClFN6O5.C4H10N2O.C2H6.Fm/c1-43-29-17-28-25(32(37-20-36-28)39-24-7-8-27(34)26(33)15-24)16-30(29)45-12-2-9-40(10-13-44-14-11-40)19-22-3-5-23(6-4-22)38-31(42)18-35-21-41;1-2-3-6-4(5)7;1-2;/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,35,41)(H,38,42)(H,36,37,39);2-3H2,1H3,(H3,5,6,7);1-2H3;
InChIKeyTTZQRLFTZQRCFS-UHFFFAOYSA-N
XLogP5.68
TPSA178.82 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.32
LogP ≤ 55.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea 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

N-[4-[[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-formamidoacetamide
CID 145095161
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
3-[2-(2-aminoethoxy)ethoxy]-N-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]propanamide
CID 163927751
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-1,4-oxazepan-7-one
CID 123993627
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-2-one
CID 118714999

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea?
The IUPAC name of N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea (CID 145095136) is N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea.
What is the SMILES notation for N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea?
The canonical SMILES for N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea is CC.CCCNC(N)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(Cc2ccc(NC(=O)CN[C-]=O)cc2)CCOCC1.[Fm].
What is the InChIKey of N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea?
The InChIKey is TTZQRLFTZQRCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN6O5.C4H10N2O.C2H6.Fm/c1-43-29-17-28-25(32(37-20-36-28)39-24-7-8-27(34)26(33)15-24)16-30(29)45-12-2-9-40(10-13-44-14-11-40)19-22-3-5-23(6-4-22)38-31(42)18-35-21-41;1-2-3-6-4(5)7;1-2;/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,35,41)(H,38,42)(H,36,37,39);2-3H2,1H3,(H3,5,6,7);1-2H3;.
What are the key properties of N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea?
N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea has a molecular weight of 1026.32 g/mol, XLogP of 5.68, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-4-ium-4-yl]methyl]phenyl]-2-(oxomethylamino)acetamide;ethane;fermium;propylurea is sourced from PubChem (CID 145095136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).