N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine

C20H23N5O2 — CID 166284258

IUPACN-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3ccc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C20H23N5O2/c1-14(15-3-6-19(26-2)21-12-15)24-20-17-11-16(25-7-9-27-10-8-25)4-5-18(17)22-13-23-20/h3-6,11-14H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyDASPAXYSBJBJDN-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine

N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine (PubChem CID 166284258) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
PubChem CID166284258
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3ccc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C20H23N5O2/c1-14(15-3-6-19(26-2)21-12-15)24-20-17-11-16(25-7-9-27-10-8-25)4-5-18(17)22-13-23-20/h3-6,11-14H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyDASPAXYSBJBJDN-UHFFFAOYSA-N
XLogP3.04
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine (CID 166284258) is N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine is COc1ccc(C(C)Nc2ncnc3ccc(N4CCOCC4)cc23)cn1.
What is the InChIKey of N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine?
The InChIKey is DASPAXYSBJBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(15-3-6-19(26-2)21-12-15)24-20-17-11-16(25-7-9-27-10-8-25)4-5-18(17)22-13-23-20/h3-6,11-14H,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine?
N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 166284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).