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

C24H26N6O4 — CID 10344304

IUPACN-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OC
InChIInChI=1S/C24H26N6O4/c1-32-11-12-34-22-13-19-20(14-21(22)33-2)26-16-27-23(19)29-7-9-30(10-8-29)24(31)28-18-5-3-17(15-25)4-6-18/h3-6,13-14,16H,7-12H2,1-2H3,(H,28,31)
InChIKeyQLEHJJWDVPPTPR-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.89
Rot. Bonds7

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

N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (PubChem CID 10344304) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
PubChem CID10344304
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OC
InChIInChI=1S/C24H26N6O4/c1-32-11-12-34-22-13-19-20(14-21(22)33-2)26-16-27-23(19)29-7-9-30(10-8-29)24(31)28-18-5-3-17(15-25)4-6-18/h3-6,13-14,16H,7-12H2,1-2H3,(H,28,31)
InChIKeyQLEHJJWDVPPTPR-UHFFFAOYSA-N
XLogP2.89
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.89
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 N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (CID 10344304) is N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is COCCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OC.
What is the InChIKey of N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The InChIKey is QLEHJJWDVPPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-32-11-12-34-22-13-19-20(14-21(22)33-2)26-16-27-23(19)29-7-9-30(10-8-29)24(31)28-18-5-3-17(15-25)4-6-18/h3-6,13-14,16H,7-12H2,1-2H3,(H,28,31).
What are the key properties of N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10344304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).