4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide

C21H18N4O — CID 66763055

IUPAC4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide
SMILESC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)25-21-18-11-5-10-17(20(22)26)19(18)23-12-24-21/h2-13H,1H3,(H2,22,26)(H,23,24,25)/t13-/m1/s1
InChIKeyCITUHDBZOGJAEN-CYBMUJFWSA-N
MW342.40 g/mol
LogP4.05
Rot. Bonds4

About 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide

4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide (PubChem CID 66763055) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide
PubChem CID66763055
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide
SMILESC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)25-21-18-11-5-10-17(20(22)26)19(18)23-12-24-21/h2-13H,1H3,(H2,22,26)(H,23,24,25)/t13-/m1/s1
InChIKeyCITUHDBZOGJAEN-CYBMUJFWSA-N
XLogP4.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide (CID 66763055) is 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide is C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc2ccccc12.
What is the InChIKey of 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is CITUHDBZOGJAEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)25-21-18-11-5-10-17(20(22)26)19(18)23-12-24-21/h2-13H,1H3,(H2,22,26)(H,23,24,25)/t13-/m1/s1.
What are the key properties of 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide?
4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-naphthalen-1-ylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).