N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine

C20H25N5O3S — CID 11502548

IUPACN-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C20H25N5O3S/c1-14-12-21-20(29-14)24-19-15-10-17(26-2)18(11-16(15)22-13-23-19)28-7-3-4-25-5-8-27-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeyANIODNBRYFSVJO-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.25
Rot. Bonds8

About N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 11502548) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID11502548
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C20H25N5O3S/c1-14-12-21-20(29-14)24-19-15-10-17(26-2)18(11-16(15)22-13-23-19)28-7-3-4-25-5-8-27-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeyANIODNBRYFSVJO-UHFFFAOYSA-N
XLogP3.25
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 11502548) is N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine is COc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is ANIODNBRYFSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-14-12-21-20(29-14)24-19-15-10-17(26-2)18(11-16(15)22-13-23-19)28-7-3-4-25-5-8-27-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 415.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 11502548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).