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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Related Compounds

(5-(4-(((5-Methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
CID 44968231
(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
2-(5-methyl-2-furyl)-N-(2-pyridinyl)-4-quinolinecarboxamide
CID 1221931
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine
CID 3233276
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3233956
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
N-(4-(benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine
CID 9828336
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(2-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-amino}-pyrimidin-4-ylamino)-methyl]-benzylamide
CID 10394119
2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
Methyl 4-({4-[(2-furylmethyl)amino]-2-quinazolinyl}amino)benzoate
CID 11689305
{5-[4-(4-Morpholin-4-yl-phenylamino)-quinazolin-6-yl]-furan-2-yl}-methanol
CID 15956160

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).