1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

C27H34N4O6 — CID 58739028

IUPAC1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
SMILESCCCC(CCN1CCOCC1)OC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H34N4O6/c1-4-5-20(10-11-31-12-14-35-15-13-31)37-27(32)30-19-6-8-21(9-7-19)36-26-22-16-24(33-2)25(34-3)17-23(22)28-18-29-26/h6-9,16-18,20H,4-5,10-15H2,1-3H3,(H,30,32)
InChIKeyWGFXFQJWNLDIRM-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.88
Rot. Bonds11

About 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate (PubChem CID 58739028) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Name1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
PubChem CID58739028
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC Name1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
SMILESCCCC(CCN1CCOCC1)OC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H34N4O6/c1-4-5-20(10-11-31-12-14-35-15-13-31)37-27(32)30-19-6-8-21(9-7-19)36-26-22-16-24(33-2)25(34-3)17-23(22)28-18-29-26/h6-9,16-18,20H,4-5,10-15H2,1-3H3,(H,30,32)
InChIKeyWGFXFQJWNLDIRM-UHFFFAOYSA-N
XLogP4.88
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(diethylamino)ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;2-(diethylamino)ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;pyridin-4-ylmethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;pyridin-4-ylmethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 160923634
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329008
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
4-[3-[4-(1,2-dimethylindol-5-yl)oxy-6-methoxyquinazolin-7-yl]oxypropyl]morpholine
CID 22030747
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 58738951
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]urea
CID 56658305
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
(2-methoxy-1-methylcyclohex-3-en-1-yl)methyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 142073349
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate (CID 58739028) is 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate is CCCC(CCN1CCOCC1)OC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The InChIKey is WGFXFQJWNLDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-4-5-20(10-11-31-12-14-35-15-13-31)37-27(32)30-19-6-8-21(9-7-19)36-26-22-16-24(33-2)25(34-3)17-23(22)28-18-29-26/h6-9,16-18,20H,4-5,10-15H2,1-3H3,(H,30,32).
What are the key properties of 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate has a molecular weight of 510.59 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 58739028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).