hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate

C24H25N3O5 — CID 58739050

IUPAChex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate
SMILESC#CCC(CC)OC(=O)N(C)c1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H25N3O5/c1-6-8-17(7-2)32-24(28)27(3)16-9-11-18(12-10-16)31-23-19-13-21(29-4)22(30-5)14-20(19)25-15-26-23/h1,9-15,17H,7-8H2,2-5H3
InChIKeyWXSWOZKMHVNUKF-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.81
Rot. Bonds8

About hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate

hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate (PubChem CID 58739050) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate.

Molecular Properties

Compound Namehex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate
PubChem CID58739050
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namehex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate
SMILESC#CCC(CC)OC(=O)N(C)c1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H25N3O5/c1-6-8-17(7-2)32-24(28)27(3)16-9-11-18(12-10-16)31-23-19-13-21(29-4)22(30-5)14-20(19)25-15-26-23/h1,9-15,17H,7-8H2,2-5H3
InChIKeyWXSWOZKMHVNUKF-UHFFFAOYSA-N
XLogP4.81
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
CID 66907423
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66906894
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
CID 22667077
(6,7-dimethoxyquinazolin-4-yl) N-piperidin-1-yl-N-(4-propan-2-yloxyphenyl)carbamate
CID 90928488
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 58739028

Frequently Asked Questions

What is the IUPAC name of hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate?
The IUPAC name of hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate (CID 58739050) is hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate.
What is the SMILES notation for hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate?
The canonical SMILES for hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate is C#CCC(CC)OC(=O)N(C)c1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate?
The InChIKey is WXSWOZKMHVNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-6-8-17(7-2)32-24(28)27(3)16-9-11-18(12-10-16)31-23-19-13-21(29-4)22(30-5)14-20(19)25-15-26-23/h1,9-15,17H,7-8H2,2-5H3.
What are the key properties of hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate?
hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate has a molecular weight of 435.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate is sourced from PubChem (CID 58739050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).