ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate

C23H20N4O2 — CID 127027199

IUPACethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-21(28)14-16-9-11-18(12-10-16)25-23-19-7-3-4-8-20(19)26-22(27-23)17-6-5-13-24-15-17/h3-13,15H,2,14H2,1H3,(H,25,26,27)
InChIKeyTUSMLWZLFUAKOS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.54
Rot. Bonds6

About ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate

ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate (PubChem CID 127027199) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate
PubChem CID127027199
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Nameethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-21(28)14-16-9-11-18(12-10-16)25-23-19-7-3-4-8-20(19)26-22(27-23)17-6-5-13-24-15-17/h3-13,15H,2,14H2,1H3,(H,25,26,27)
InChIKeyTUSMLWZLFUAKOS-UHFFFAOYSA-N
XLogP4.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sgi-1027
CID 24858111
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
CID 748627
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266
Ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl}octanoate
CID 24971276
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
2-(p-Tolyl)-2-(quinazolin-4-ylhydrazono)acetic acid ethyl ester
CID 9717959
N-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 59457983
N-(oxan-3-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 124168199
N-(4-methoxycyclohexyl)-2-pyridin-3-ylquinazolin-4-amine
CID 124168347
US10450297, Example 98
CID 57584617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate (CID 127027199) is ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate?
The InChIKey is TUSMLWZLFUAKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-29-21(28)14-16-9-11-18(12-10-16)25-23-19-7-3-4-8-20(19)26-22(27-23)17-6-5-13-24-15-17/h3-13,15H,2,14H2,1H3,(H,25,26,27).
What are the key properties of ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate?
ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate has a molecular weight of 384.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]acetate is sourced from PubChem (CID 127027199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).