6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C25H37N5O4 — CID 175431027

IUPAC6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCOCC3)nc(C3CNCCO3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H37N5O4/c1-31-21-15-19-20(16-22(21)33-11-4-10-30-8-2-3-9-30)28-25(23-17-26-7-14-34-23)29-24(19)27-18-5-12-32-13-6-18/h15-16,18,23,26H,2-14,17H2,1H3,(H,27,28,29)
InChIKeyFBABYJUCBXAEMV-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.75
Rot. Bonds9

About 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 175431027) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID175431027
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC Name6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCOCC3)nc(C3CNCCO3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H37N5O4/c1-31-21-15-19-20(16-22(21)33-11-4-10-30-8-2-3-9-30)28-25(23-17-26-7-14-34-23)29-24(19)27-18-5-12-32-13-6-18/h15-16,18,23,26H,2-14,17H2,1H3,(H,27,28,29)
InChIKeyFBABYJUCBXAEMV-UHFFFAOYSA-N
XLogP2.75
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-(oxan-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714730
6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163861205
6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452
6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 164704339
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;hydrate
CID 71312000
6-methoxy-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CID 177378118
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155651
[8-methoxy-4-[[(3R)-oxolan-3-yl]amino]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155596
N-(1,1-dioxothian-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163809675
2-cyclohexyl-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 171735620
4-N-(1,1-dioxothian-4-yl)-6-methoxy-2-N-(methoxymethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 163772375

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 175431027) is 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NC3CCOCC3)nc(C3CNCCO3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is FBABYJUCBXAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-31-21-15-19-20(16-22(21)33-11-4-10-30-8-2-3-9-30)28-25(23-17-26-7-14-34-23)29-24(19)27-18-5-12-32-13-6-18/h15-16,18,23,26H,2-14,17H2,1H3,(H,27,28,29).
What are the key properties of 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 471.60 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 175431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).