N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine

C24H23BrN6O — CID 59325297

IUPACN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine
SMILESNc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1
InChIInChI=1S/C24H23BrN6O/c25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30)
InChIKeyIJKDDZBKCGOIPS-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.61
Rot. Bonds5

About N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine

N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine (PubChem CID 59325297) has the molecular formula C24H23BrN6O and a molecular weight of 491.39 g/mol. Its IUPAC name is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine
PubChem CID59325297
Molecular FormulaC24H23BrN6O
Molecular Weight491.39 g/mol
Exact Mass490.11
IUPAC NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine
SMILESNc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1
InChIInChI=1S/C24H23BrN6O/c25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30)
InChIKeyIJKDDZBKCGOIPS-UHFFFAOYSA-N
XLogP4.61
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine?
The IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine (CID 59325297) is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine.
What is the SMILES notation for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine?
The canonical SMILES for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine is Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.
What is the InChIKey of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine?
The InChIKey is IJKDDZBKCGOIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN6O/c25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30).
What are the key properties of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine?
N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine has a molecular weight of 491.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine is sourced from PubChem (CID 59325297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).