4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide

C20H20N4O3 — CID 87511779

IUPAC4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-24-18(25)14-6-4-13(5-7-14)15-8-9-17-16(10-15)19(23-20(21)22-17)27-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyKPQWZICVZRDTMY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.96
Rot. Bonds6

About 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide

4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide (PubChem CID 87511779) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide.

Molecular Properties

Compound Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
PubChem CID87511779
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-24-18(25)14-6-4-13(5-7-14)15-8-9-17-16(10-15)19(23-20(21)22-17)27-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyKPQWZICVZRDTMY-UHFFFAOYSA-N
XLogP2.96
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
CID 68602490
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
CID 68602190
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-(furan-2-ylmethyl)benzamide
CID 68602385
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
CID 68600652
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
CID 68599915
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68602035
4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
CID 68599659
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857
4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68601022
4-[2-amino-4-(oxolan-3-yloxy)quinazolin-6-yl]-N-(1-cyanocyclopropyl)benzamide
CID 68601077
[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
CID 68601883
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-7-yl)-N-cyclopropylbenzamide
CID 110172113

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide?
The IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide (CID 87511779) is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide.
What is the SMILES notation for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide?
The canonical SMILES for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide is CONC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1.
What is the InChIKey of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide?
The InChIKey is KPQWZICVZRDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-24-18(25)14-6-4-13(5-7-14)15-8-9-17-16(10-15)19(23-20(21)22-17)27-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide?
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide has a molecular weight of 364.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide is sourced from PubChem (CID 87511779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).