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

C26H31N9O4 — CID 10302121

IUPAC4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1ncnn1
InChIInChI=1S/C26H31N9O4/c1-18(2)39-20-6-4-19(5-7-20)31-26(36)34-10-8-33(9-11-34)25-21-14-23(37-3)24(15-22(21)27-16-28-25)38-13-12-35-30-17-29-32-35/h4-7,14-18H,8-13H2,1-3H3,(H,31,36)
InChIKeyLQCXSHKSDRJXNC-UHFFFAOYSA-N
MW533.59 g/mol
LogP2.85
Rot. Bonds9

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

4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 10302121) has the molecular formula C26H31N9O4 and a molecular weight of 533.59 g/mol. Its IUPAC name is 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID10302121
Molecular FormulaC26H31N9O4
Molecular Weight533.59 g/mol
Exact Mass533.25
IUPAC Name4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1ncnn1
InChIInChI=1S/C26H31N9O4/c1-18(2)39-20-6-4-19(5-7-20)31-26(36)34-10-8-33(9-11-34)25-21-14-23(37-3)24(15-22(21)27-16-28-25)38-13-12-35-30-17-29-32-35/h4-7,14-18H,8-13H2,1-3H3,(H,31,36)
InChIKeyLQCXSHKSDRJXNC-UHFFFAOYSA-N
XLogP2.85
TPSA132.65 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 10302121) is 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1ncnn1.
What is the InChIKey of 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is LQCXSHKSDRJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O4/c1-18(2)39-20-6-4-19(5-7-20)31-26(36)34-10-8-33(9-11-34)25-21-14-23(37-3)24(15-22(21)27-16-28-25)38-13-12-35-30-17-29-32-35/h4-7,14-18H,8-13H2,1-3H3,(H,31,36).
What are the key properties of 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-7-[2-(tetrazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10302121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).