4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid

C19H20N4O2 — CID 140576306

IUPAC4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
SMILESCCNC[C@@H](Nc1ncnc2c(C(=O)O)cccc12)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-20-11-16(13-7-4-3-5-8-13)23-18-14-9-6-10-15(19(24)25)17(14)21-12-22-18/h3-10,12,16,20H,2,11H2,1H3,(H,24,25)(H,21,22,23)/t16-/m1/s1
InChIKeyAQCPJNPTGXLTQC-MRXNPFEDSA-N
MW336.40 g/mol
LogP3.09
Rot. Bonds7

About 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid

4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid (PubChem CID 140576306) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
PubChem CID140576306
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
SMILESCCNC[C@@H](Nc1ncnc2c(C(=O)O)cccc12)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-20-11-16(13-7-4-3-5-8-13)23-18-14-9-6-10-15(19(24)25)17(14)21-12-22-18/h3-10,12,16,20H,2,11H2,1H3,(H,24,25)(H,21,22,23)/t16-/m1/s1
InChIKeyAQCPJNPTGXLTQC-MRXNPFEDSA-N
XLogP3.09
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxylic acid
CID 140576302
4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate
CID 90908057
4-[[1-(3-aminophenyl)-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxylic acid
CID 140638645
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-(methylamino)quinazoline-8-carboxylic acid
CID 71208033
4-[[3-(dimethylamino)-1-(3-nitrophenyl)propyl]amino]quinazoline-8-carboxylic acid
CID 140638583
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
4-[[(1S)-2-(ethylamino)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799784
4-[[2-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788365
4-[[(1R)-1-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788362
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid?
The IUPAC name of 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid (CID 140576306) is 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid is CCNC[C@@H](Nc1ncnc2c(C(=O)O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid?
The InChIKey is AQCPJNPTGXLTQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-20-11-16(13-7-4-3-5-8-13)23-18-14-9-6-10-15(19(24)25)17(14)21-12-22-18/h3-10,12,16,20H,2,11H2,1H3,(H,24,25)(H,21,22,23)/t16-/m1/s1.
What are the key properties of 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid?
4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 140576306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).