1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide

C34H30Cl4N8O2 — CID 68878731

IUPAC1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide
SMILESNC(=O)C1CC(N(C(=O)c2cccc(Cl)c2Cl)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)CCN1c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C34H30Cl4N8O2/c35-19-4-6-23-27(14-19)40-17-42-32(23)44-11-8-21(9-12-44)46(34(48)25-2-1-3-26(37)30(25)38)22-10-13-45(29(16-22)31(39)47)33-24-7-5-20(36)15-28(24)41-18-43-33/h1-7,14-15,17-18,21-22,29H,8-13,16H2,(H2,39,47)
InChIKeyJSTQMQKEKALZDO-UHFFFAOYSA-N
MW724.48 g/mol
LogP6.82
Rot. Bonds6

About 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide

1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide (PubChem CID 68878731) has the molecular formula C34H30Cl4N8O2 and a molecular weight of 724.48 g/mol. Its IUPAC name is 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide
PubChem CID68878731
Molecular FormulaC34H30Cl4N8O2
Molecular Weight724.48 g/mol
Exact Mass722.12
IUPAC Name1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide
SMILESNC(=O)C1CC(N(C(=O)c2cccc(Cl)c2Cl)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)CCN1c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C34H30Cl4N8O2/c35-19-4-6-23-27(14-19)40-17-42-32(23)44-11-8-21(9-12-44)46(34(48)25-2-1-3-26(37)30(25)38)22-10-13-45(29(16-22)31(39)47)33-24-7-5-20(36)15-28(24)41-18-43-33/h1-7,14-15,17-18,21-22,29H,8-13,16H2,(H2,39,47)
InChIKeyJSTQMQKEKALZDO-UHFFFAOYSA-N
XLogP6.82
TPSA121.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.48
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide?
The IUPAC name of 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide (CID 68878731) is 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide?
The canonical SMILES for 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide is NC(=O)C1CC(N(C(=O)c2cccc(Cl)c2Cl)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)CCN1c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide?
The InChIKey is JSTQMQKEKALZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Cl4N8O2/c35-19-4-6-23-27(14-19)40-17-42-32(23)44-11-8-21(9-12-44)46(34(48)25-2-1-3-26(37)30(25)38)22-10-13-45(29(16-22)31(39)47)33-24-7-5-20(36)15-28(24)41-18-43-33/h1-7,14-15,17-18,21-22,29H,8-13,16H2,(H2,39,47).
What are the key properties of 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide?
1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide has a molecular weight of 724.48 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinazolin-4-yl)-4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-(2,3-dichlorobenzoyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 68878731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).