N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide

C20H22N4O3 — CID 46916190

IUPACN-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1
InChIInChI=1S/C20H22N4O3/c1-2-21-20(25)18-8-7-17(27-18)13-5-6-16-15(10-13)19(24-12-23-16)22-11-14-4-3-9-26-14/h5-8,10,12,14H,2-4,9,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySVYHZCQATFJFIX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide

N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide (PubChem CID 46916190) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide
PubChem CID46916190
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1
InChIInChI=1S/C20H22N4O3/c1-2-21-20(25)18-8-7-17(27-18)13-5-6-16-15(10-13)19(24-12-23-16)22-11-14-4-3-9-26-14/h5-8,10,12,14H,2-4,9,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySVYHZCQATFJFIX-UHFFFAOYSA-N
XLogP3.23
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide (CID 46916190) is N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide is CCNC(=O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1.
What is the InChIKey of N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide?
The InChIKey is SVYHZCQATFJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-21-20(25)18-8-7-17(27-18)13-5-6-16-15(10-13)19(24-12-23-16)22-11-14-4-3-9-26-14/h5-8,10,12,14H,2-4,9,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide?
N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 46916190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).