4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

C23H21N5O3 — CID 66763652

IUPAC4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C23H21N5O3/c1-13(27-22-19-8-4-7-18(21(24)29)20(19)25-12-26-22)15-5-3-6-16(11-15)28-23(30)17-9-10-31-14(17)2/h3-13H,1-2H3,(H2,24,29)(H,28,30)(H,25,26,27)
InChIKeyWVHAMWAJDWCCNB-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.06
Rot. Bonds6

About 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763652) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763652
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C23H21N5O3/c1-13(27-22-19-8-4-7-18(21(24)29)20(19)25-12-26-22)15-5-3-6-16(11-15)28-23(30)17-9-10-31-14(17)2/h3-13H,1-2H3,(H2,24,29)(H,28,30)(H,25,26,27)
InChIKeyWVHAMWAJDWCCNB-UHFFFAOYSA-N
XLogP4.06
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763652) is 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is Cc1occc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1.
What is the InChIKey of 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is WVHAMWAJDWCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-13(27-22-19-8-4-7-18(21(24)29)20(19)25-12-26-22)15-5-3-6-16(11-15)28-23(30)17-9-10-31-14(17)2/h3-13H,1-2H3,(H2,24,29)(H,28,30)(H,25,26,27).
What are the key properties of 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).