[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid

C20H21N5O3 — CID 69463489

IUPAC[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
SMILESCCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)O)cc12
InChIInChI=1S/C20H21N5O3/c1-2-25(15-6-4-3-5-7-15)19-16-12-14(8-9-17(16)22-13-23-19)24-18(26)10-11-21-20(27)28/h3-9,12-13,21H,2,10-11H2,1H3,(H,24,26)(H,27,28)
InChIKeyVYIOKTJORHAUFJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.38
Rot. Bonds7

About [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid

[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid (PubChem CID 69463489) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
PubChem CID69463489
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
SMILESCCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)O)cc12
InChIInChI=1S/C20H21N5O3/c1-2-25(15-6-4-3-5-7-15)19-16-12-14(8-9-17(16)22-13-23-19)24-18(26)10-11-21-20(27)28/h3-9,12-13,21H,2,10-11H2,1H3,(H,24,26)(H,27,28)
InChIKeyVYIOKTJORHAUFJ-UHFFFAOYSA-N
XLogP3.38
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 69462798
8-[4-[4-(N-ethylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]-8-oxooctanoic acid
CID 69164345
6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid
CID 68729366
N-[4-(2-phenylethylamino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide
CID 69463534
N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 141145315
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
CID 11369740
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-phenazin-2-ylbutanamide
CID 73349412
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid (CID 69463489) is [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid is CCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)O)cc12.
What is the InChIKey of [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid?
The InChIKey is VYIOKTJORHAUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-25(15-6-4-3-5-7-15)19-16-12-14(8-9-17(16)22-13-23-19)24-18(26)10-11-21-20(27)28/h3-9,12-13,21H,2,10-11H2,1H3,(H,24,26)(H,27,28).
What are the key properties of [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid?
[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid has a molecular weight of 379.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69463489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).