2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H26N4O2 — CID 135616531

IUPAC2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCN(CC(=O)NC1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-2-27(14-21-24-20-12-6-5-11-18(20)23(29)26-21)15-22(28)25-19-13-7-9-16-8-3-4-10-17(16)19/h3-6,8,10-12,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyPCUDABLWMZQOAH-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.94
Rot. Bonds6

About 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 135616531) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID135616531
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCN(CC(=O)NC1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-2-27(14-21-24-20-12-6-5-11-18(20)23(29)26-21)15-22(28)25-19-13-7-9-16-8-3-4-10-17(16)19/h3-6,8,10-12,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyPCUDABLWMZQOAH-UHFFFAOYSA-N
XLogP2.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 135616531) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCN(CC(=O)NC1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is PCUDABLWMZQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-27(14-21-24-20-12-6-5-11-18(20)23(29)26-21)15-22(28)25-19-13-7-9-16-8-3-4-10-17(16)19/h3-6,8,10-12,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 135616531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).