4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C26H33N5O5 — CID 10117540

IUPAC4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C26H33N5O5/c1-18(2)36-20-7-5-19(6-8-20)29-26(32)31-11-9-30(10-12-31)25-21-15-23(34-4)24(35-14-13-33-3)16-22(21)27-17-28-25/h5-8,15-18H,9-14H2,1-4H3,(H,29,32)
InChIKeyIZVDXKIUMGJIMC-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.80
Rot. Bonds9

About 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 10117540) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID10117540
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C26H33N5O5/c1-18(2)36-20-7-5-19(6-8-20)29-26(32)31-11-9-30(10-12-31)25-21-15-23(34-4)24(35-14-13-33-3)16-22(21)27-17-28-25/h5-8,15-18H,9-14H2,1-4H3,(H,29,32)
InChIKeyIZVDXKIUMGJIMC-UHFFFAOYSA-N
XLogP3.80
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 10117540) is 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is IZVDXKIUMGJIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-18(2)36-20-7-5-19(6-8-20)29-26(32)31-11-9-30(10-12-31)25-21-15-23(34-4)24(35-14-13-33-3)16-22(21)27-17-28-25/h5-8,15-18H,9-14H2,1-4H3,(H,29,32).
What are the key properties of 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10117540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).