[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol

C19H17N3O3 — CID 44968231

IUPAC[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1
InChIInChI=1S/C19H17N3O3/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18/h2-8,11,23H,9-10H2,1H3,(H,20,21,22)
InChIKeyROCFOIBAEVAOLQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.90
Rot. Bonds5

About [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol

[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 44968231) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
PubChem CID44968231
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1
InChIInChI=1S/C19H17N3O3/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18/h2-8,11,23H,9-10H2,1H3,(H,20,21,22)
InChIKeyROCFOIBAEVAOLQ-UHFFFAOYSA-N
XLogP3.90
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol with MolForge

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Related Compounds

4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
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
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
(5-(4-(4-(Benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methanol
CID 22011954
N-(4-(benzyloxy)phenyl)-6-(5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)quinazolin-4-amine
CID 22609787
6-(benzo[d][1,3]dioxol-5-yl)-N-((5-methylfuran-2-yl)methyl)quinazolin-4-amine
CID 44223966
Ethyl 5-(4-(thiophen-2-ylmethylamino)quinazolin-6-yl)furan-2-carboxylate
CID 44968199
Ethyl 5-(4-((5-methylfuran-2-yl)methylamino)quinazolin-6-yl)furan-2-carboxylate
CID 44968221

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol (CID 44968231) is [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol is Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1.
What is the InChIKey of [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is ROCFOIBAEVAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18/h2-8,11,23H,9-10H2,1H3,(H,20,21,22).
What are the key properties of [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 335.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 44968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).