2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

C21H25N5O2 — CID 97131151

IUPAC2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C21H25N5O2/c27-19(14-26-11-3-1-2-9-20(26)28)24-17-7-4-8-18-16(17)13-23-21(25-18)15-6-5-10-22-12-15/h5-6,10,12-13,17H,1-4,7-9,11,14H2,(H,24,27)/t17-/m1/s1
InChIKeyREQWMIBPRHXPTG-QGZVFWFLSA-N
MW379.46 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (PubChem CID 97131151) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
PubChem CID97131151
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C21H25N5O2/c27-19(14-26-11-3-1-2-9-20(26)28)24-17-7-4-8-18-16(17)13-23-21(25-18)15-6-5-10-22-12-15/h5-6,10,12-13,17H,1-4,7-9,11,14H2,(H,24,27)/t17-/m1/s1
InChIKeyREQWMIBPRHXPTG-QGZVFWFLSA-N
XLogP2.43
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (CID 97131151) is 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is O=C(CN1CCCCCC1=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The InChIKey is REQWMIBPRHXPTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19(14-26-11-3-1-2-9-20(26)28)24-17-7-4-8-18-16(17)13-23-21(25-18)15-6-5-10-22-12-15/h5-6,10,12-13,17H,1-4,7-9,11,14H2,(H,24,27)/t17-/m1/s1.
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is sourced from PubChem (CID 97131151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).