tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate

C31H35N5O6 — CID 66907423

IUPACtert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C(=O)OC(C)(C)C)C(C)C)cn4)cc3)c2cc1OC
InChIInChI=1S/C31H35N5O6/c1-19(2)36(30(38)42-31(3,4)5)21-10-13-27(32-17-21)35-28(37)14-20-8-11-22(12-9-20)41-29-23-15-25(39-6)26(40-7)16-24(23)33-18-34-29/h8-13,15-19H,14H2,1-7H3,(H,32,35,37)
InChIKeyXTVGQHQBYDJONK-UHFFFAOYSA-N
MW573.65 g/mol
LogP6.17
Rot. Bonds9

About tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate

tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate (PubChem CID 66907423) has the molecular formula C31H35N5O6 and a molecular weight of 573.65 g/mol. Its IUPAC name is tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
PubChem CID66907423
Molecular FormulaC31H35N5O6
Molecular Weight573.65 g/mol
Exact Mass573.26
IUPAC Nametert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C(=O)OC(C)(C)C)C(C)C)cn4)cc3)c2cc1OC
InChIInChI=1S/C31H35N5O6/c1-19(2)36(30(38)42-31(3,4)5)21-10-13-27(32-17-21)35-28(37)14-20-8-11-22(12-9-20)41-29-23-15-25(39-6)26(40-7)16-24(23)33-18-34-29/h8-13,15-19H,14H2,1-7H3,(H,32,35,37)
InChIKeyXTVGQHQBYDJONK-UHFFFAOYSA-N
XLogP6.17
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.65
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
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]acetyl chloride
CID 86238128
tert-butyl N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]-N-propan-2-ylcarbamate
CID 69076061
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-methylcarbamate
CID 58739050
N-[3-[(cyclopropylamino)methyl]-5-methoxyphenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 66907457
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
tert-butyl N-cyclopropyl-N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]carbamate
CID 69078203
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate (CID 66907423) is tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate is COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C(=O)OC(C)(C)C)C(C)C)cn4)cc3)c2cc1OC.
What is the InChIKey of tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate?
The InChIKey is XTVGQHQBYDJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6/c1-19(2)36(30(38)42-31(3,4)5)21-10-13-27(32-17-21)35-28(37)14-20-8-11-22(12-9-20)41-29-23-15-25(39-6)26(40-7)16-24(23)33-18-34-29/h8-13,15-19H,14H2,1-7H3,(H,32,35,37).
What are the key properties of tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate?
tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate has a molecular weight of 573.65 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66907423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).