4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide

C19H21N5O — CID 46869910

IUPAC4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1
InChIKeyAAEAMMIUQZAASJ-MRXNPFEDSA-N
MW335.41 g/mol
LogP2.44
Rot. Bonds6

About 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide

4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869910) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
PubChem CID46869910
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1
InChIKeyAAEAMMIUQZAASJ-MRXNPFEDSA-N
XLogP2.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (CID 46869910) is 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is AAEAMMIUQZAASJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1.
What are the key properties of 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).